Molecular formula
C35H47N7O10

SMILES
CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C.CC(=O)O

Fragrance
Odorless	60.28%
Savory	40.4%
Cooling	33.48%
Meaty	28.84%
Cooked	23.47%
Milky	21.86%
Grape	18.19%
Bitter	18.04%
Animal	17.72%
Mint	17.06%

 

Flavor
Bitter	78.24%
Odorless	48.75%
Bland	34.22%
Mild	24.17%
Sweet-like	21.03%
Nitrile	19.24%
Cedarleaf	18.78%
Heather	18.3%
Broom	18.09%
Yeast	17.9%

 

Odor impact est.
Low

pKa est.
8.36 (weak base)

Molecular weight
725.8 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
2080°C

Flash point

• 303.17 ˚C est.

• Tryptase
• acetic acid;tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(5-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• Trypsin from bovin pancreas
• WGWZNYKOUXOZTC-NAGNLMCHSA-N
• AKOS040763733

CID 5311489 is an organic compound that may be evaluated for a range of applications depending on its exact structure and regulatory context; potential real-world applications across industries include serving as an intermediate in organic synthesis; functioning as a solvent or processing aid in industrial manufacturing; acting as a stabilizer or plasticizer in polymer formulations; used as a fragrance ingredient or fixative in perfumery; used in cosmetics/personal care formulations; and as an additive in cleaning, coatings, or inks, depending on compatibility and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	0.99
methanol	4.55
isopropanol	0.24
water	0.11
ethyl acetate	0.07
n-propanol	0.56
acetone	0.43
n-butanol	0.23
acetonitrile	0.17
DMF	7.25
toluene	0.03
isobutanol	0.17
1,4-dioxane	0.43
methyl acetate	0.2
THF	1.27
2-butanone	0.36
n-pentanol	0.19
sec-butanol	0.18
n-hexane	0.01
ethylene glycol	2.1
NMP	11.47
cyclohexane	0.0
DMSO	9.57
n-butyl acetate	0.06
n-octanol	0.05
chloroform	0.31
n-propyl acetate	0.11
acetic acid	4.6
dichloromethane	0.47
cyclohexanone	0.41
propylene glycol	2.51
isopropyl acetate	0.03
DMAc	7.39
2-ethoxyethanol	1.99
isopentanol	0.09
n-heptane	0.0
ethyl formate	0.33
1,2-dichloroethane	0.22
n-hexanol	0.06
2-methoxyethanol	5.4
isobutyl acetate	0.05
tetrachloromethane	0.04
n-pentyl acetate	0.08
transcutol	1.93
n-heptanol	0.08
ethylbenzene	0.02
MIBK	0.05
2-propoxyethanol	1.06
tert-butanol	0.08
MTBE	0.03
2-butoxyethanol	0.93
propionic acid	0.82
o-xylene	0.02
formic acid	13.86
diethyl ether	0.06
m-xylene	0.01
p-xylene	0.03
chlorobenzene	0.04
dimethyl carbonate	0.3
n-octane	0.0
formamide	8.67
cyclopentanone	1.2
2-pentanone	0.15
anisole	0.08
cyclopentyl methyl ether	0.12
gamma-butyrolactone	1.78
1-methoxy-2-propanol	1.89
pyridine	0.65
3-pentanone	0.13
furfural	2.86
n-dodecane	0.0
diethylene glycol	1.72
diisopropyl ether	0.01
tert-amyl alcohol	0.09
acetylacetone	0.2
n-hexadecane	0.0
acetophenone	0.16
methyl propionate	0.21
isopentyl acetate	0.04
trichloroethylene	0.54
n-nonanol	0.05
cyclohexanol	0.08
benzyl alcohol	0.25
2-ethylhexanol	0.03
isooctanol	0.05
dipropyl ether	0.06
1,2-dichlorobenzene	0.04
ethyl lactate	0.3
propylene carbonate	0.43
n-methylformamide	4.03
2-pentanol	0.06
n-pentane	0.0
1-propoxy-2-propanol	0.46
1-methoxy-2-propyl acetate	0.13
2-(2-methoxypropoxy) propanol	0.59
mesitylene	0.01
ε-caprolactone	0.44
p-cymene	0.01
epichlorohydrin	1.41
1,1,1-trichloroethane	0.05
2-aminoethanol	2.57
morpholine-4-carbaldehyde	4.8
sulfolane	5.09
2,2,4-trimethylpentane	0.0
2-methyltetrahydrofuran	0.24
n-hexyl acetate	0.07
isooctane	0.0
2-(2-butoxyethoxy)ethanol	0.91
sec-butyl acetate	0.04
tert-butyl acetate	0.03
decalin	0.0
glycerin	7.39
diglyme	1.84
acrylic acid	1.8
isopropyl myristate	0.01
n-butyric acid	0.43
acetyl acetate	0.05
di(2-ethylhexyl) phthalate	0.07
ethyl propionate	0.09
nitromethane	3.46
1,2-diethoxyethane	0.15
benzonitrile	0.1
trioctyl phosphate	0.04
1-bromopropane	0.06
gamma-valerolactone	4.27
n-decanol	0.03
triethyl phosphate	0.06
4-methyl-2-pentanol	0.02
propionitrile	0.14
vinylene carbonate	0.53
1,1,2-trichlorotrifluoroethane	4.71
DMS	0.1
cumene	0.01
2-octanol	0.03
2-hexanone	0.18
octyl acetate	0.03
limonene	0.01
1,2-dimethoxyethane	1.66
ethyl orthosilicate	0.05
tributyl phosphate	0.05
diacetone alcohol	0.2
N,N-dimethylaniline	0.08
acrylonitrile	0.38
aniline	0.12
1,3-propanediol	1.79
bromobenzene	0.03
dibromomethane	0.17
1,1,2,2-tetrachloroethane	0.44
2-methyl-cyclohexyl acetate	0.05
tetrabutyl urea	0.11
diisobutyl methanol	0.01
2-phenylethanol	0.09
styrene	0.02
dioctyl adipate	0.05
dimethyl sulfate	0.99
ethyl butyrate	0.07
methyl lactate	0.93
butyl lactate	0.29
diethyl carbonate	0.05
propanediol butyl ether	1.06
triethyl orthoformate	0.09
p-tert-butyltoluene	0.01
methyl 4-tert-butylbenzoate	0.19
morpholine	0.96
tert-butylamine	0.02
n-dodecanol	0.02
dimethoxymethane	1.47
ethylene carbonate	0.25
cyrene	1.43
2-ethoxyethyl acetate	0.18
2-ethylhexyl acetate	0.03
1,2,4-trichlorobenzene	0.07
4-methylpyridine	0.28
dibutyl ether	0.04
2,6-dimethyl-4-heptanol	0.01
DEF	0.42
dimethyl isosorbide	0.73
tetrachloroethylene	0.33
eugenol	0.37
triacetin	0.18
span 80	0.43
1,4-butanediol	0.69
1,1-dichloroethane	0.08
2-methyl-1-pentanol	0.1
methyl formate	2.47
2-methyl-1-butanol	0.13
n-decane	0.0
butyronitrile	0.1
3,7-dimethyl-1-octanol	0.02
1-chlorooctane	0.01
1-chlorotetradecane	0.0
n-nonane	0.0
undecane	0.0
tert-butylcyclohexane	0.0
cyclooctane	0.0
cyclopentanol	0.25
tetrahydropyran	0.15
tert-amyl methyl ether	0.04
2,5,8-trioxanonane	1.04
1-hexene	0.03
2-isopropoxyethanol	0.59
2,2,2-trifluoroethanol	1.66
methyl butyrate	0.18

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