(1R,2S)-2-ethenyl-1-[[(2S,4R)-1-non-8-enoyl-4-quinolin-4-yloxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-ethenyl-1-[[(2S,4R)-1-non-8-enoyl-4-quinolin-4-yloxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S,4R)-1-non-8-enoyl-4-(4-quinolyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-2-ethenyl-1-[[oxo-[(2S,4R)-1-(1-oxonon-8-enyl)-4-(4-quinolinyloxy)-2-pyrrolidinyl]methyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-2-ethenyl-1-[[(2S,4R)-1-non-8-enoyl-4-quinolin-4-yloxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S,4R)-1-non-8-enoyl-4-(4-quinolyloxy)prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCC(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)OC3=CC=NC4=CC=CC=C43

Isomeric SMILES

C=CCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C29H35N3O5/c1-3-5-6-7-8-9-14-26(33)32-19-21(37-25-15-16-30-23-13-11-10-12-22(23)25)17-24(32)27(34)31-29(28(35)36)18-20(29)4-2/h3-4,10-13,15-16,20-21,24H,1-2,5-9,14,17-19H2,(H,31,34)(H,35,36)/t20-,21-,24+,29-/m1/s1