propyl (2S)-2-[[[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenoxy]methyl-[[(2S)-1-oxidanylidene-3-phenyl-1-propoxy-propan-2-yl]amino]phosphoryl]amino]-3-phenyl-propanoate

Systemtic Name: propyl (2S)-2-[[[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenoxy]methyl-[[(2S)-1-oxidanylidene-3-phenyl-1-propoxy-propan-2-yl]amino]phosphoryl]amino]-3-phenyl-propanoate Openeye Name: propyl (2S)-2-[[[[(1S)-1-benzyl-2-oxo-2-propoxy-ethyl]amino]-[[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenoxy]methyl]phosphoryl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-[[(2S)-1-oxo-3-phenyl-1-propoxypropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl (2S)-2-[[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-[[(2S)-1-oxo-3-phenyl-1-propoxypropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[[[(1S)-1-benzyl-2-keto-2-propoxy-ethyl]amino]-[[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenoxy]methyl]phosphoryl]amino]-3-phenyl-propionic acid propyl ester Formula: C42H53N2O8P MolecularWeight: 744.852581

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC1=CC=CC=C1)NP(=O)(COC2=CC(=C(C(=C2)C)OC3=CC(=C(C=C3)O)C(C)C)C)NC(CC4=CC=CC=C4)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(COC2=CC(=C(C(=C2)C)OC3=CC(=C(C=C3)O)C(C)C)C)N[C@@H](CC4=CC=CC=C4)C(=O)OCCC

InChI

InChI=1S/C42H53N2O8P/c1-7-21-49-41(46)37(25-32-15-11-9-12-16-32)43-53(48,44-38(42(47)50-22-8-2)26-33-17-13-10-14-18-33)28-51-35-23-30(5)40(31(6)24-35)52-34-19-20-39(45)36(27-34)29(3)4/h9-20,23-24,27,29,37-38,45H,7-8,21-22,25-26,28H2,1-6H3,(H2,43,44,48)/t37-,38-/m0/s1