C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@@H]3CN[C@H](C(=O)NCc4ccc(S(N)(=O)=O)cc4)C3)[C@H](C)[C@H]12

Nombre: raw material 3

IUPAC: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@@H]3CN[C@H](C(=O)NCc4ccc(S(N)(=O)=O)cc4)C3)[C@H](C)[C@H]12

Canonical SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O

Fórmula molecular: C29H33N5O9S2

Masa molecular: 659.70

InChIKey: NIZWTIMNWOOEJE-MRDSODBNSA-N

InChI:

InChI=1S/C29H33N5O9S2/c1-15-24-23(16(2)35)28(37)33(24)25(29(38)43-14-18-3-7-19(8-4-18)34(39)40)26(15)44-20-11-22(31-13-20)27(36)32-12-17-5-9-21(10-6-17)45(30,41)42/h3-10,15-16,20,22-24,31,35H,11-14H2,1-2H3,(H,32,36)(H2,30,41,42)/t15-,16-,20+,22+,23-,24-/m1/s1

PubChem CID: 86762634 →

Sinónimos

SCHEMBL15986112NIZWTIMNWOOEJE-MRDSODBNSA-N(4R,5S,6S)-4nitrobenzyl 6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((4-sulfamoylbenzyl)carbamoyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

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