3-[[1-[3-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]phenyl]piperidin-4-yl]carbonylamino]-2-(ethoxycarbonylamino)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-(ethoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]piperidine-4-carbonyl]amino]-2-(ethoxycarbonylamino)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-(ethoxycarbonylamino)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-(ethoxycarbonylamino)propanoic acid Traditional Name: 3-[[1-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]isonipecotoyl]amino]-2-(carbethoxyamino)propionic acid Formula: C32H48N6O9 MolecularWeight: 660.75832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC=CC(=C2)N=C3N(CCCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC=CC(=C2)N=C3N(CCCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C32H48N6O9/c1-8-45-28(42)35-24(26(40)41)20-33-25(39)21-13-17-36(18-14-21)23-12-9-11-22(19-23)34-27-37(29(43)46-31(2,3)4)15-10-16-38(27)30(44)47-32(5,6)7/h9,11-12,19,21,24H,8,10,13-18,20H2,1-7H3,(H,33,39)(H,35,42)(H,40,41)