1-cyano-7-[[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]carbamoyl]indolizine-3-carboxylic acid

Systemtic Name: 1-cyano-7-[[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]carbamoyl]indolizine-3-carboxylic acid Openeye Name: 1-cyano-7-[[(1S)-1-[(3-hydroxy-3-oxo-1-phenyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]indolizine-3-carboxylic acid CAS Name: 1-cyano-7-[[[(2S)-1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-3-indolizinecarboxylic acid IUPAC Name: 1-cyano-7-[[(2S)-1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]indolizine-3-carboxylic acid Traditional Name: 1-cyano-7-[[(1S)-1-[(3-hydroxy-3-keto-1-phenyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]indolizine-3-carboxylic acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(N3C=C2)C(=O)O)C#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(N3C=C2)C(=O)O)C#N

InChI

InChI=1S/C26H26N4O6/c1-15(2)10-20(25(34)28-19(13-23(31)32)16-6-4-3-5-7-16)29-24(33)17-8-9-30-21(11-17)18(14-27)12-22(30)26(35)36/h3-9,11-12,15,19-20H,10,13H2,1-2H3,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t19?,20-/m0/s1