1-[2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-4-piperidin-1-yl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-4-piperidin-1-yl-piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2-amino-2-methyl-propanoyl)amino]-3-benzyloxy-propanoyl]-4-(1-piperidyl)piperidine-4-carboxylic acid CAS Name: 1-[2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylmethoxypropyl]-4-(1-piperidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]-4-piperidin-1-ylpiperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-amino-2-methyl-propanoyl)amino]-3-benzoxy-propanoyl]-4-piperidino-isonipecotic acid Formula: C25H38N4O5 MolecularWeight: 474.59302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C(=O)O)N3CCCCC3)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C(=O)O)N3CCCCC3)N

InChI

InChI=1S/C25H38N4O5/c1-24(2,26)22(31)27-20(18-34-17-19-9-5-3-6-10-19)21(30)28-15-11-25(12-16-28,23(32)33)29-13-7-4-8-14-29/h3,5-6,9-10,20H,4,7-8,11-18,26H2,1-2H3,(H,27,31)(H,32,33)