2-[[2-[[4-[(2-azanyl-3-methyl-pentanoyl)-phenylmethoxycarbonyl-amino]-2-oxidanylidene-pyrimidin-1-yl]methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[4-[(2-azanyl-3-methyl-pentanoyl)-phenylmethoxycarbonyl-amino]-2-oxidanylidene-pyrimidin-1-yl]methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[4-[(2-amino-3-methyl-pentanoyl)-benzyloxycarbonyl-amino]-2-oxo-pyrimidin-1-yl]methoxy]-3-[benzyloxycarbonyl-(1-carboxy-2-methyl-butyl)amino]propyl]-benzyloxycarbonyl-amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[4-[(2-amino-3-methyl-1-oxopentyl)-phenylmethoxycarbonylamino]-2-oxo-1-pyrimidinyl]methoxy]-3-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[4-[(2-amino-3-methylpentanoyl)-phenylmethoxycarbonylamino]-2-oxopyrimidin-1-yl]methoxy]-3-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[4-[(2-amino-3-methyl-pentanoyl)-carbobenzoxy-amino]-2-keto-pyrimidin-1-yl]methoxy]-3-[carbobenzoxy-(1-carboxy-2-methyl-butyl)amino]propyl]-carbobenzoxy-amino]-3-methyl-valeric acid Formula: C50H64N6O13 MolecularWeight: 957.07556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H64N6O13/c1-7-33(4)41(51)44(57)56(50(65)68-31-38-23-17-12-18-24-38)40-25-26-53(47(62)52-40)32-69-39(27-54(42(45(58)59)34(5)8-2)48(63)66-29-36-19-13-10-14-20-36)28-55(43(46(60)61)35(6)9-3)49(64)67-30-37-21-15-11-16-22-37/h10-26,33-35,39,41-43H,7-9,27-32,51H2,1-6H3,(H,58,59)(H,60,61)