3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]carbamoyl]benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]carbamoyl]benzimidazol-2-yl]propanoic acid Openeye Name: 3-[6-[[2-(benzyloxycarbonylamino)-3-tert-butoxy-3-oxo-propyl]carbamoyl]-1-tert-butoxycarbonyl-benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-[[[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-oxomethyl]-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]carbamoyl]benzimidazol-2-yl]propanoic acid Traditional Name: 3-[6-[[2-(benzyloxycarbonylamino)-3-tert-butoxy-3-keto-propyl]carbamoyl]-1-tert-butoxycarbonyl-benzimidazol-2-yl]propionic acid Formula: C31H38N4O9 MolecularWeight: 610.65482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N=C(N2C(=O)OC(C)(C)C)CCC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N=C(N2C(=O)OC(C)(C)C)CCC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H38N4O9/c1-30(2,3)43-27(39)22(34-28(40)42-18-19-10-8-7-9-11-19)17-32-26(38)20-12-13-21-23(16-20)35(29(41)44-31(4,5)6)24(33-21)14-15-25(36)37/h7-13,16,22H,14-15,17-18H2,1-6H3,(H,32,38)(H,34,40)(H,36,37)