Chymostatin B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H39N7O6
Molecular Weight	593.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(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=BTAKGODFEIZKSQ-KEOOTSPTSA-N

InChI=1S/C30H39N7O6/c1-18(2)24(26(39)33-21(17-38)15-19-9-5-3-6-10-19)36-27(40)25(22-13-14-32-29(31)34-22)37-30(43)35-23(28(41)42)16-20-11-7-4-8-12-20/h3-12,17-18,21-25H,13-16H2,1-2H3,(H,33,39)(H,36,40)(H,41,42)(H3,31,32,34)(H2,35,37,43)/t21-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H39N7O6
Molecular Weight	593.674
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 16:47:01 GMT 2025` Edited by `admin` on `Wed Apr 02 16:47:01 GMT 2025`
Record UNII	7ZC58U5486
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Omicsynin C3

Preferred Name

English

Chymostatin B

Common Name

English

(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-valinamide

Systematic Name

English

(((S)-1-((S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-(((S)-3-methyl-1-oxo-1-(((S)-1-oxo-3-phenylpropan-2-yl)amino)butan-2-yl)amino)-2-oxoethyl)carbamoyl)-L-phenylalanine

Systematic Name

English

L-Valinamide, (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

Code System Code Type Description

FDA UNII

7ZC58U5486