N-Cbz-O-bzl-L-glu-s-bzl-L-cys-gly-obzl

CAS

97924-38-4

Catalog Number

ACM97924384

Category

Other Products

Molecular Weight

711.82

Molecular Formula

C₃₉H₄₁N₃O₈S

MSDS COA Spec Sheet

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Specification

Synonyms

N-CBZ-O-BZL-L-GLU-S-BZL-L-CYS-GLY-OBZL;N-Benzyloxycarbonyl-O-benzyl-g-L-glutamyl-S-benzyl-L-cysteinyl-glycine, Benzyl Ester;N-Benzyloxycarbonyl-O-benzyl--L-glutamyl-S-benzyl-L-cysteinyl-glycine, Benzyl Ester

IUPAC Name

benzyl (2S)-5-[[(2R)-3-benzylsulfanyl-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

Canonical SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI Key

ZOUVMBFVVPMFTH-HEVIKAOCSA-N

Appearance

Off-White Solid

Exact Mass

711.26100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound N-Cbz-O-Bzl-L-Glu-S-Bzl-L-Cys-Gly-OBzl?

The molecular formula is C39H41N3O8S.

When was the compound created and modified according to PubChem?

The compound was created on May 17, 2013, and last modified on December 30, 2023.

What is the IUPAC Name of the compound?

The IUPAC Name is benzyl (2S)-5-[[(2R)-3-benzylsulfanyl-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is C1=CC=C(C=C1)COC(=O)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4.

What is the InChIKey of the compound?

The InChIKey is ZOUVMBFVVPMFTH-HEVIKAOCSA-N.

What is the molecular weight of the compound?

The molecular weight is 711.8 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 5.4.

What is the topological polar surface area of the compound?

The topological polar surface area is 174Å².