Home > Products > Screening Compounds P7729 > Malonylbis(methionyl-4-nitrophenyl ester)

Malonylbis(methionyl-4-nitrophenyl ester)

Catalog Number: EVT-1535948

CAS Number: 87498-80-4

Molecular Formula: C25H29N4O10S2+

Molecular Weight: 609.7 g/mol

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Product Introduction

Properties

CAS Number

87498-80-4

Product Name

Malonylbis(methionyl-4-nitrophenyl ester)

IUPAC Name

[(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium

Molecular Formula

C25H29N4O10S2+

Molecular Weight

609.7 g/mol

InChI

InChI=1S/C25H28N4O10S2/c1-40-13-11-20(24(32)33)26-22(30)15-23(31)29(21(25(34)35)12-14-41-2,18-7-3-16(4-8-18)27(36)37)19-9-5-17(6-10-19)28(38)39/h3-10,20-21H,11-15H2,1-2H3,(H2-,26,30,32,33,34,35)/p+1/t20-,21-/m0/s1

InChI Key

UBHTYWNJBMNVHI-SFTDATJTSA-O

SMILES

CSCCC(C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])C(CCSC)C(=O)O

Synonyms

malonyl-(Met-ONP)2
malonylbis(methionyl-4-nitrophenyl ester)

Canonical SMILES

CSCCC(C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])C(CCSC)C(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O

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