3-[[1-[5-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]-2-methoxy-phenyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-[5-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]-2-methoxy-phenyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-[5-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]-2-methoxy-phenyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[5-[[1,3-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-diazinan-2-ylidene]amino]-2-methoxyphenyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[5-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]-2-methoxyphenyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-[5-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]-2-methoxy-phenyl]isonipecotoyl]amino]propionic acid Formula: C38H52N6O10 MolecularWeight: 752.85368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C1=NC2=CC(=C(C=C2)OC)N3CCC(CC3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=NC2=CC(=C(C=C2)OC)N3CCC(CC3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C38H52N6O10/c1-37(2,3)53-35(49)43-18-11-19-44(36(50)54-38(4,5)6)33(43)40-27-14-15-30(51-7)29(22-27)42-20-16-26(17-21-42)31(45)39-23-28(32(46)47)41-34(48)52-24-25-12-9-8-10-13-25/h8-10,12-15,22,26,28H,11,16-21,23-24H2,1-7H3,(H,39,45)(H,41,48)(H,46,47)