Chymostatin C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H41N7O6
Molecular Weight	607.7005
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CCN=C(N)N1)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=CC=C3)C=O

InChI

InChIKey=OLVPQBGMUGIKIW-KTHKBMNISA-N

InChI=1S/C31H41N7O6/c1-3-19(2)25(27(40)34-22(18-39)16-20-10-6-4-7-11-20)37-28(41)26(23-14-15-33-30(32)35-23)38-31(44)36-24(29(42)43)17-21-12-8-5-9-13-21/h4-13,18-19,22-26H,3,14-17H2,1-2H3,(H,34,40)(H,37,41)(H,42,43)(H3,32,33,35)(H2,36,38,44)/t19-,22-,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	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:31:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:31:15 GMT 2023`
Record UNII	J33GX8A57W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Chymostatin C

Common Name

English

3,5,8,11-Tetraazatridecanoic acid, 6-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-12-formyl-9-[(1S)-1-methylpropyl]-4,7,10-trioxo-13-phenyl-2-(phenylmethyl)-, (2S,6S,9S,12S)-

Systematic 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-isoleucinamide

Systematic Name

English

L-Isoleucinamide, (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

CAS

51759-78-5