[[4-[3-[1-[3-aminocarbonyl-4-(2-methylpropoxy)phenyl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]phenyl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-[3-[1-[3-aminocarbonyl-4-(2-methylpropoxy)phenyl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]phenyl]-phosphono-methyl]phosphonic acid Openeye Name: [[4-[3-[1-(3-carbamoyl-4-isobutoxy-phenyl)ethylamino]-3-oxo-2-[(2-phenylacetyl)amino]propyl]phenyl]-phosphono-methyl]phosphonic acid CAS Name: [[4-[3-[1-[3-carbamoyl-4-(2-methylpropoxy)phenyl]ethylamino]-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]phenyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-[3-[1-[3-carbamoyl-4-(2-methylpropoxy)phenyl]ethylamino]-3-oxo-2-[(2-phenylacetyl)amino]propyl]phenyl]-phosphonomethyl]phosphonic acid Traditional Name: [[4-[3-[1-(3-carbamoyl-4-isobutoxy-phenyl)ethylamino]-3-keto-2-[(2-phenylacetyl)amino]propyl]phenyl]-phosphono-methyl]phosphonic acid Formula: C31H39N3O10P2 MolecularWeight: 675.602982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(C)NC(=O)C(CC2=CC=C(C=C2)C(P(=O)(O)O)P(=O)(O)O)NC(=O)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(C)NC(=O)C(CC2=CC=C(C=C2)C(P(=O)(O)O)P(=O)(O)O)NC(=O)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C31H39N3O10P2/c1-19(2)18-44-27-14-13-24(17-25(27)29(32)36)20(3)33-30(37)26(34-28(35)16-21-7-5-4-6-8-21)15-22-9-11-23(12-10-22)31(45(38,39)40)46(41,42)43/h4-14,17,19-20,26,31H,15-16,18H2,1-3H3,(H2,32,36)(H,33,37)(H,34,35)(H2,38,39,40)(H2,41,42,43)