3-[[1-(4-azanylhex-5-enoyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-(4-azanylhex-5-enoyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-(4-aminohex-5-enoyl)piperidine-4-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[[1-(4-amino-1-oxohex-5-enyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-(4-aminohex-5-enoyl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[1-(4-aminohex-5-enoyl)isonipecotoyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C23H32N4O6 MolecularWeight: 460.52338

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CCC(=O)N1CCC(CC1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C=CC(CCC(=O)N1CCC(CC1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C23H32N4O6/c1-2-18(24)8-9-20(28)27-12-10-17(11-13-27)21(29)25-14-19(22(30)31)26-23(32)33-15-16-6-4-3-5-7-16/h2-7,17-19H,1,8-15,24H2,(H,25,29)(H,26,32)(H,30,31)