Chymostatin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H41N7O6
Molecular Weight	607.7005
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H]2CCN=C(N)N2)C(=O)N[C@@H](CC3=CC=CC=C3)C=O

InChI

InChIKey=MRXDGVXSWIXTQL-LROMGURASA-N

InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H41N7O6
Molecular Weight	607.7005
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:18:45 GMT 2025` Edited by `admin` on `Wed Apr 02 16:18:45 GMT 2025`
Record UNII	CU2AD63F3M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S)-2-[(4S)-2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]glycyl-N-(1-formyl-2-phenylethyl)-L-leucinamide

Preferred Name

English

Chymostatin A

Common Name

English

(2s)-2-[[(1s)-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2s)-4-methyl-1-oxo-1-[[(2s)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid

Systematic Name

English

2-({[(2-imino-1,3-diazinan-4-yl)({3-methyl-1-[(1-oxo-3-phenylpropan-2-yl)carbamoyl]butyl}carbamoyl)methyl]carbamoyl}amino)-3-phenylpropanoic acid

Systematic Name

English

L-Leucinamide, (2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]glycyl-N-(1-formyl-2-phenylethyl)-

Systematic Name

English

L-Leucinamide, (2S)-2-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]glycyl-N-(1-formyl-2-phenylethyl)-

Systematic Name

English

3,5,8,11-Tetraazatridecanoic acid, 6-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-12-formyl-9-(2-methylpropyl)-4,7,10-trioxo-13-phenyl-2-(phenylmethyl)-, (2S,6S,9S,12S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5287931