2-(phenylmethoxycarbonylamino)-3-[[1-[3-[[(phenylmethyl)amino]sulfanylcarbonylamino]phenyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[[1-[3-[[(phenylmethyl)amino]sulfanylcarbonylamino]phenyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[3-[(benzylamino)sulfanylcarbonylamino]phenyl]piperidine-4-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[oxo-[1-[3-[[oxo-[[(phenylmethyl)amino]thio]methyl]amino]phenyl]-4-piperidinyl]methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[3-[(benzylamino)sulfanylcarbonylamino]phenyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[1-[3-[[(benzylamino)thio]carbonylamino]phenyl]isonipecotoyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C31H35N5O6S MolecularWeight: 605.7045

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)SNCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)SNCC4=CC=CC=C4

InChI

InChI=1S/C31H35N5O6S/c37-28(32-20-27(29(38)39)35-30(40)42-21-23-10-5-2-6-11-23)24-14-16-36(17-15-24)26-13-7-12-25(18-26)34-31(41)43-33-19-22-8-3-1-4-9-22/h1-13,18,24,27,33H,14-17,19-21H2,(H,32,37)(H,34,41)(H,35,40)(H,38,39)