methyl 2-[[4,7-bis[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,4,7-triazonan-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4,7-bis[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,4,7-triazonan-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4,7-bis[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoyl]-1,4,7-triazonane-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4,7-bis[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1,4,7-triazonan-1-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4,7-bis[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-1,4,7-triazonane-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4,7-bis[(1-benzyl-2-keto-2-methoxy-ethyl)carbamoyl]-1,4,7-triazonane-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C39H48N6O9 MolecularWeight: 744.83322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C39H48N6O9/c1-52-34(46)31(25-28-13-7-4-8-14-28)40-37(49)43-19-21-44(38(50)41-32(35(47)53-2)26-29-15-9-5-10-16-29)23-24-45(22-20-43)39(51)42-33(36(48)54-3)27-30-17-11-6-12-18-30/h4-18,31-33H,19-27H2,1-3H3,(H,40,49)(H,41,50)(H,42,51)