2-[5-[(5-aminocarbonyl-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[5-[(5-aminocarbonyl-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(2-allyloxycarbonyl-5-carbamoyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[5-carbamoyl-2-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(5-carbamoyl-2-prop-2-enoxycarbonylphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(2-allyloxycarbonyl-5-carbamoyl-phenyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C26H26N4O9S MolecularWeight: 570.57104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(C=C(C=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=C(C=C(C=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C26H26N4O9S/c1-2-9-38-25(34)19-8-5-17(23(27)32)12-20(19)28-24(33)21-10-16(11-22(31)40)13-29(21)26(35)39-14-15-3-6-18(7-4-15)30(36)37/h2-8,12,16,21H,1,9-11,13-14H2,(H2,27,32)(H,28,33)(H,31,40)