(4-nitrophenyl)methyl 1-cyclopropyl-6-fluoranyl-7-[4-[(2S,4S)-4-[[(4R,5S,6S)-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-cyclopropyl-6-fluoranyl-7-[4-[(2S,4S)-4-[[(4R,5S,6S)-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-cyclopropyl-6-fluoro-7-[4-[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxy-oxomethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-cyclopropyl-6-fluoro-7-[4-[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-2-(4-nitrobenzyl)oxycarbonyl-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-1-(4-nitrobenzyl)oxycarbonyl-prolyl]piperazino]-4-keto-quinoline-3-carboxylic acid (4-nitrobenzyl) ester Formula: C54H51FN8O16S MolecularWeight: 1119.090143

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C9CC9)F)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C9CC9)F)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C)O

InChI

InChI=1S/C54H51FN8O16S/c1-29-46-45(30(2)64)51(67)60(46)47(53(69)78-27-32-5-11-36(12-6-32)62(73)74)49(29)80-38-21-44(59(24-38)54(70)79-28-33-7-13-37(14-8-33)63(75)76)50(66)57-19-17-56(18-20-57)43-23-42-39(22-41(43)55)48(65)40(25-58(42)34-15-16-34)52(68)77-26-31-3-9-35(10-4-31)61(71)72/h3-14,22-23,25,29-30,34,38,44-46,64H,15-21,24,26-28H2,1-2H3/t29-,30-,38+,44+,45-,46-/m1/s1