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

Systemtic Name: 3-[[1-(3-aminophenyl)piperidin-4-yl]carbonylamino]-2-(2-methylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(isobutoxycarbonylamino)propanoic acid CAS Name: 3-[[[1-(3-aminophenyl)-4-piperidinyl]-oxomethyl]amino]-2-[[2-methylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(2-methylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[[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(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5/c1-13(2)12-29-20(28)23-17(19(26)27)11-22-18(25)14-6-8-24(9-7-14)16-5-3-4-15(21)10-16/h3-5,10,13-14,17H,6-9,11-12,21H2,1-2H3,(H,22,25)(H,23,28)(H,26,27)