Suc-val-pro-phe-sbzl

CAS

95192-51-1

Catalog Number

ACM95192511

Category

Other Products

Molecular Weight

567.696280 [g/mol]

Molecular Formula

C₃₀H₃₇N₃O₆S

MSDS COA Spec Sheet

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Specification

Synonyms

SUC-VAL-PRO-PHE-SBZL, 95192-51-1

IUPAC Name

4-[[(2S)-1-[(2S)-2-[[(2S)-1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Canonical SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O

InChI Key

ZKVZGVIFRVJQGE-DPZBCOQUSA-N

Boiling Point

869.7±65.0 °C (760 mmHg)

Density

1.260±0.06 g/cm³ (20 °C, 760 mmHg)

Exact Mass

567.24000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C30H37N3O6S.

What are the synonyms of the compound?

The synonyms of the compound are SUC-VAL-PRO-PHE-SBZL, 95192-51-1, 4-[[(2S)-1-[(2S)-2-[[(2S)-1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid, BDBM16302, and HY-P4583.

What is the computed molecular weight of the compound?

The computed molecular weight of the compound is 567.7 g/mol.

When was the compound created?

The compound was created on February 16, 2015.

When was the compound last modified?

The compound was last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[[(2S)-1-[(2S)-2-[[(2S)-1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.

What is the InChIKey of the compound?

The InChIKey of the compound is ZKVZGVIFRVJQGE-DPZBCOQUSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.7.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

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