(4-nitrophenyl)methyl 3-methyl-2-[[2-(2-phenoxyethanoylamino)-3-prop-2-enylsulfanyl-propanoyl]amino]but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[[2-(2-phenoxyethanoylamino)-3-prop-2-enylsulfanyl-propanoyl]amino]but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[[3-allylsulfanyl-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-3-methyl-but-2-enoate CAS Name: 3-methyl-2-[[1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]-3-(prop-2-enylthio)propyl]amino]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[[2-[(2-phenoxyacetyl)amino]-3-prop-2-enylsulfanylpropanoyl]amino]but-2-enoate Traditional Name: 2-[[3-(allylthio)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC=C)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC=C)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C26H29N3O7S/c1-4-14-37-17-22(27-23(30)16-35-21-8-6-5-7-9-21)25(31)28-24(18(2)3)26(32)36-15-19-10-12-20(13-11-19)29(33)34/h4-13,22H,1,14-17H2,2-3H3,(H,27,30)(H,28,31)