(2R,3S)-3-[2-[(2S)-2-methoxycarbonyl-5-oxidanylidene-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-[1-[2-(pyridin-2-ylcarbonylamino)phenyl]ethylideneamino]heptanoic acid

Systemtic Name: (2R,3S)-3-[2-[(2S)-2-methoxycarbonyl-5-oxidanylidene-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-[1-[2-(pyridin-2-ylcarbonylamino)phenyl]ethylideneamino]heptanoic acid Openeye Name: (2R,3S)-3-[2-[(2S)-2-methoxycarbonyl-5-oxo-pyrrolidin-1-yl]-2-oxo-ethyl]-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]heptanoic acid CAS Name: (2R,3S)-3-[2-[(2S)-2-methoxycarbonyl-5-oxo-1-pyrrolidinyl]-2-oxoethyl]-2-[1-[2-[[oxo(2-pyridinyl)methyl]amino]phenyl]ethylideneamino]heptanoic acid IUPAC Name: (2R,3S)-3-[2-[(2S)-2-methoxycarbonyl-5-oxopyrrolidin-1-yl]-2-oxoethyl]-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]heptanoic acid Traditional Name: (2R,3S)-3-[2-[(2S)-2-carbomethoxy-5-keto-pyrrolidino]-2-keto-ethyl]-2-[1-(2-picolinamidophenyl)ethylideneamino]enanthic acid Formula: C29H34N4O7 MolecularWeight: 550.60286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)N1C(CCC1=O)C(=O)OC)C(C(=O)O)N=C(C)C2=CC=CC=C2NC(=O)C3=CC=CC=N3

Isomeric SMILES

CCCC[C@@H](CC(=O)N1[C@@H](CCC1=O)C(=O)OC)[C@H](C(=O)O)N=C(C)C2=CC=CC=C2NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C29H34N4O7/c1-4-5-10-19(17-25(35)33-23(29(39)40-3)14-15-24(33)34)26(28(37)38)31-18(2)20-11-6-7-12-21(20)32-27(36)22-13-8-9-16-30-22/h6-9,11-13,16,19,23,26H,4-5,10,14-15,17H2,1-3H3,(H,32,36)(H,37,38)/t19-,23-,26+/m0/s1