(3S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methyl-propanoyl]piperidin-4-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methyl-propanoyl]piperidin-4-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: (3S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methyl-propanoyl]piperidine-4-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: (3S)-3-[[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methyl-1-oxopropyl]-4-piperidinyl]-oxomethyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: (3S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropanoyl]piperidine-4-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: (3S)-3-[[1-[3-(2-imidazolin-2-ylamino)-2-methyl-propanoyl]isonipecotoyl]amino]-3-(3-quinolyl)propionic acid Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NCCN1)C(=O)N2CCC(CC2)C(=O)NC(CC(=O)O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(CNC1=NCCN1)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(=O)O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H32N6O4/c1-16(14-29-25-26-8-9-27-25)24(35)31-10-6-17(7-11-31)23(34)30-21(13-22(32)33)19-12-18-4-2-3-5-20(18)28-15-19/h2-5,12,15-17,21H,6-11,13-14H2,1H3,(H,30,34)(H,32,33)(H2,26,27,29)/t16?,21-/m0/s1