N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide

CAS

94213-45-3

Catalog Number

ACM94213453

Category

Other Products

Molecular Weight

594.680320 [g/mol]

Molecular Formula

C₂₆H₃₈N₆O₈S

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 303-749-4, N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide, 94213-45-3

IUPAC Name

tert-butyl N-[(2R)-1-[[2-[[(2S)-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Canonical SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI Key

CMGYAHANTSMLGN-ZCNNSNEGSA-N

EC Number

303-749-4

Exact Mass

594.24700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The molecular formula is C26H38N6O8S.

What are the synonyms for N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The synonyms are EINECS 303-749-4, 94213-45-3, and DTXSID50241062.

What is the molecular weight of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The molecular weight is 594.7 g/mol.

When was N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide created and last modified?

It was created on August 20, 2009, and last modified on December 30, 2023.

What is the IUPAC name of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The IUPAC name is tert-butyl N-[(2R)-1-[[2-[[(2S)-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.

What is the InChI of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The InChI is InChI=1S/C26H38N6O8S/c1-26(2,3)40-25(37)29-19(11-13-41-4)22(34)28-15-21(33)30-23(35)20-6-5-12-31(20)24(36)18(27)14-16-7-9-17(10-8-16)32(38)39/h7-10,18-20H,5-6,11-15,27H2,1-4H3,(H,28,34)(H,29,37)(H,30,33,35)/t18-,19+,20-/m0/s1.

What is the InChIKey of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The InChIKey is CMGYAHANTSMLGN-ZCNNSNEGSA-N.

What is the Canonical SMILES representation of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The Canonical SMILES representation is CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N.

How many hydrogen bond acceptor counts does N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide have?

It has 10 hydrogen bond acceptor counts.

What is the XLogP3 value of N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide?

The XLogP3 value is 1.1.