propyl (2S)-2-[[[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]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-phenyl)methyl]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-phenyl)methyl]-3,5-dimethyl-phenoxy]methyl]phosphoryl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-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-ylphenyl)methyl]-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-benzyl)-3,5-dimethyl-phenoxy]methyl]phosphoryl]amino]-3-phenyl-propionic acid propyl ester Formula: C43H55N2O7P MolecularWeight: 742.879761

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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)CC3=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)CC3=CC(=C(C=C3)O)C(C)C)C)N[C@@H](CC4=CC=CC=C4)C(=O)OCCC

InChI

InChI=1S/C43H55N2O7P/c1-7-21-50-42(47)39(27-33-15-11-9-12-16-33)44-53(49,45-40(43(48)51-22-8-2)28-34-17-13-10-14-18-34)29-52-36-23-31(5)38(32(6)24-36)26-35-19-20-41(46)37(25-35)30(3)4/h9-20,23-25,30,39-40,46H,7-8,21-22,26-29H2,1-6H3,(H2,44,45,49)/t39-,40-/m0/s1