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

Systemtic Name: 3-[[1-[3-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]phenyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[3-[[1,3-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-diazinan-2-ylidene]amino]phenyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[3-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]phenyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]isonipecotoyl]amino]propionic acid Formula: C37H50N6O9 MolecularWeight: 722.8277

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H50N6O9/c1-36(2,3)51-34(48)42-18-11-19-43(35(49)52-37(4,5)6)32(42)39-27-14-10-15-28(22-27)41-20-16-26(17-21-41)30(44)38-23-29(31(45)46)40-33(47)50-24-25-12-8-7-9-13-25/h7-10,12-15,22,26,29H,11,16-21,23-24H2,1-6H3,(H,38,44)(H,40,47)(H,45,46)