(3aS,4S,5S,6aR)-N-methyl-5-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl-(1H-pyrrol-3-ylcarbonyl)amino]-2-oxidanylidene-N-(phenylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-3-carboxamide

Systemtic Name: (3aS,4S,5S,6aR)-N-methyl-5-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl-(1H-pyrrol-3-ylcarbonyl)amino]-2-oxidanylidene-N-(phenylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-3-carboxamide Openeye Name: (3aS,4S,5S,6aR)-N-benzyl-N-methyl-4-[(2-nitrophenyl)methyl-(1H-pyrrole-3-carbonyl)amino]-2-oxo-5-(p-tolylsulfonyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazole-3-carboxamide CAS Name: (3aS,4S,5S,6aR)-N-methyl-5-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl-[oxo(1H-pyrrol-3-yl)methyl]amino]-2-oxo-N-(phenylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazole-3-carboxamide IUPAC Name: (3aS,4S,5S,6aR)-N-benzyl-N-methyl-5-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl-(1H-pyrrole-3-carbonyl)amino]-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-3-carboxamide Traditional Name: (3aS,4S,5S,6aR)-N-benzyl-2-keto-N-methyl-4-[(2-nitrobenzyl)-(1H-pyrrole-3-carbonyl)amino]-5-tosyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazole-3-carboxamide Formula: C34H33N5O8S MolecularWeight: 671.71952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC3C(C2N(CC4=CC=CC=C4[N+](=O)[O-])C(=O)C5=CNC=C5)N(C(=O)O3)C(=O)N(C)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H]2C[C@@H]3[C@H]([C@@H]2N(CC4=CC=CC=C4[N+](=O)[O-])C(=O)C5=CNC=C5)N(C(=O)O3)C(=O)N(C)CC6=CC=CC=C6

InChI

InChI=1S/C34H33N5O8S/c1-22-12-14-26(15-13-22)48(45,46)29-18-28-30(38(34(42)47-28)33(41)36(2)20-23-8-4-3-5-9-23)31(29)37(32(40)24-16-17-35-19-24)21-25-10-6-7-11-27(25)39(43)44/h3-17,19,28-31,35H,18,20-21H2,1-2H3/t28-,29+,30-,31-/m1/s1