2-[[1-(3-aminophenyl)piperidin-4-yl]carbonylamino]-2-(2-methylpropoxycarbonylamino)propanoic acid

Systemtic Name: 2-[[1-(3-aminophenyl)piperidin-4-yl]carbonylamino]-2-(2-methylpropoxycarbonylamino)propanoic acid Openeye Name: 2-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(isobutoxycarbonylamino)propanoic acid CAS Name: 2-[[[1-(3-aminophenyl)-4-piperidinyl]-oxomethyl]amino]-2-[[2-methylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 2-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(2-methylpropoxycarbonylamino)propanoic acid Traditional Name: 2-[[1-(3-aminophenyl)isonipecotoyl]amino]-2-(isobutoxycarbonylamino)propionic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(C)(C(=O)O)NC(=O)C1CCN(CC1)C2=CC(=CC=C2)N

Isomeric SMILES

CC(C)COC(=O)NC(C)(C(=O)O)NC(=O)C1CCN(CC1)C2=CC(=CC=C2)N

InChI

InChI=1S/C20H30N4O5/c1-13(2)12-29-19(28)23-20(3,18(26)27)22-17(25)14-7-9-24(10-8-14)16-6-4-5-15(21)11-16/h4-6,11,13-14H,7-10,12,21H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)