MC-Val-Cit-PAB-OH

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40N6O7
Molecular Weight	572.6532
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC2=CC=C(CO)C=C2

InChI

InChIKey=AMKBTTRWLGVRER-OFVILXPXSA-N

InChI=1S/C28H40N6O7/c1-18(2)25(33-22(36)8-4-3-5-16-34-23(37)13-14-24(34)38)27(40)32-21(7-6-15-30-28(29)41)26(39)31-20-11-9-19(17-35)10-12-20/h9-14,18,21,25,35H,3-8,15-17H2,1-2H3,(H,31,39)(H,32,40)(H,33,36)(H3,29,30,41)/t21-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H40N6O7
Molecular Weight	572.6532
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:11:12 GMT 2025` Edited by `admin` on `Wed Apr 02 13:11:12 GMT 2025`
Record UNII	8VME2TTQ8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MC-VAL-CIT-PAB

Preferred Name

English

MC-Val-Cit-PAB-OH

Common Name

English

6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino]-1-oxo-5-ureidopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl)hexanamide

Systematic Name

English

N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide

Systematic Name

English

L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-

Systematic Name

English

Code System Code Type Description

CAS

159857-80-4