(3S)-3-[2-[cyclopropyl-(3-piperidin-4-ylphenyl)carbonyl-amino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[2-[cyclopropyl-(3-piperidin-4-ylphenyl)carbonyl-amino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[2-[cyclopropyl-[3-(4-piperidyl)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[2-[cyclopropyl-[oxo-[3-(4-piperidinyl)phenyl]methyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[2-[cyclopropyl-(3-piperidin-4-ylbenzoyl)amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[2-[cyclopropyl-[3-(4-piperidyl)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CC(=O)O)C2=CN=CC=C2)C(=O)C3=CC(=CC=C3)C4CCNCC4

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CC(=O)O)C2=CN=CC=C2)C(=O)C3=CC(=CC=C3)C4CCNCC4

InChI

InChI=1S/C25H30N4O4/c30-23(28-22(14-24(31)32)20-5-2-10-27-15-20)16-29(21-6-7-21)25(33)19-4-1-3-18(13-19)17-8-11-26-12-9-17/h1-5,10,13,15,17,21-22,26H,6-9,11-12,14,16H2,(H,28,30)(H,31,32)/t22-/m0/s1