3-[[1-[3-[(6-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-[3-[(6-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-[3-[(6-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[3-[(6-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[3-[(6-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-[3-[(6-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]isonipecotoyl]amino]propionic acid Formula: C27H34N6O6 MolecularWeight: 538.59546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1O)NC2=CC=CC(=C2)N3CCC(CC3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN=C(NC1O)NC2=CC=CC(=C2)N3CCC(CC3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H34N6O6/c34-23-9-12-28-26(32-23)30-20-7-4-8-21(15-20)33-13-10-19(11-14-33)24(35)29-16-22(25(36)37)31-27(38)39-17-18-5-2-1-3-6-18/h1-8,15,19,22-23,34H,9-14,16-17H2,(H,29,35)(H,31,38)(H,36,37)(H2,28,30,32)