2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[(4-nitrophenyl)methoxy-oxomethoxy]-(1-oxobutyl)amino]propanoic acid IUPAC Name: 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[butyryl-(4-nitrobenzyl)oxycarbonyloxy-amino]-3-mercapto-propionic acid Formula: C15H18N2O8S MolecularWeight: 386.37702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C(CS)C(=O)O)OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(C(CS)C(=O)O)OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O8S/c1-2-3-13(18)16(12(9-26)14(19)20)25-15(21)24-8-10-4-6-11(7-5-10)17(22)23/h4-7,12,26H,2-3,8-9H2,1H3,(H,19,20)