2-[[2-[[4-[(2-azanyl-3-methyl-butanoyl)-phenylmethoxycarbonyl-amino]-2-oxidanylidene-pyrimidin-1-yl]methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[4-[(2-azanyl-3-methyl-butanoyl)-phenylmethoxycarbonyl-amino]-2-oxidanylidene-pyrimidin-1-yl]methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[4-[(2-amino-3-methyl-butanoyl)-benzyloxycarbonyl-amino]-2-oxo-pyrimidin-1-yl]methoxy]-3-[benzyloxycarbonyl-(1-carboxy-2-methyl-propyl)amino]propyl]-benzyloxycarbonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[4-[(2-amino-3-methyl-1-oxobutyl)-phenylmethoxycarbonylamino]-2-oxo-1-pyrimidinyl]methoxy]-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[4-[(2-amino-3-methylbutanoyl)-phenylmethoxycarbonylamino]-2-oxopyrimidin-1-yl]methoxy]-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[4-[(2-amino-3-methyl-butanoyl)-carbobenzoxy-amino]-2-keto-pyrimidin-1-yl]methoxy]-3-[carbobenzoxy-(1-carboxy-2-methyl-propyl)amino]propyl]-carbobenzoxy-amino]-3-methyl-butyric acid Formula: C47H58N6O13 MolecularWeight: 914.99582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1=NC(=O)N(C=C1)COC(CN(C(C(C)C)C(=O)O)C(=O)OCC2=CC=CC=C2)CN(C(C(C)C)C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)C(C(=O)N(C1=NC(=O)N(C=C1)COC(CN(C(C(C)C)C(=O)O)C(=O)OCC2=CC=CC=C2)CN(C(C(C)C)C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C47H58N6O13/c1-30(2)38(48)41(54)53(47(62)65-28-35-20-14-9-15-21-35)37-22-23-50(44(59)49-37)29-66-36(24-51(39(31(3)4)42(55)56)45(60)63-26-33-16-10-7-11-17-33)25-52(40(32(5)6)43(57)58)46(61)64-27-34-18-12-8-13-19-34/h7-23,30-32,36,38-40H,24-29,48H2,1-6H3,(H,55,56)(H,57,58)