[(2S,5S)-2-[2-(2,6-dimethylphenoxy)ethanoylamino]-5-[[(2S)-3-methyl-2-(2-oxidanylidene-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenyl-hexan-3-yl] 2,2-dimethyl-4-phosphonooxy-butanoate

Systemtic Name: [(2S,5S)-2-[2-(2,6-dimethylphenoxy)ethanoylamino]-5-[[(2S)-3-methyl-2-(2-oxidanylidene-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenyl-hexan-3-yl] 2,2-dimethyl-4-phosphonooxy-butanoate Openeye Name: [(3S)-1-[(1S)-1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-phenyl-ethyl]-3-[[(2S)-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanoyl]amino]-4-phenyl-butyl] 2,2-dimethyl-4-phosphonooxy-butanoate CAS Name: 2,2-dimethyl-4-phosphonooxybutanoic acid [(2S,5S)-2-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-5-[[(2S)-3-methyl-1-oxo-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-3-yl] ester IUPAC Name: [(2S,5S)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-3-yl] 2,2-dimethyl-4-phosphonooxybutanoate Traditional Name: 2,2-dimethyl-4-phosphonooxy-butyric acid [(3S)-1-[(1S)-1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-phenyl-ethyl]-3-[[(2S)-2-(2-ketohexahydropyrimidin-1-yl)-3-methyl-butanoyl]amino]-4-phenyl-butyl] ester Formula: C43H59N4O10P MolecularWeight: 822.923121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)OC(=O)C(C)(C)CCOP(=O)(O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)OC(=O)C(C)(C)CCOP(=O)(O)O

InChI

InChI=1S/C43H59N4O10P/c1-29(2)38(47-23-14-22-44-42(47)51)40(49)45-34(25-32-17-9-7-10-18-32)27-36(57-41(50)43(5,6)21-24-56-58(52,53)54)35(26-33-19-11-8-12-20-33)46-37(48)28-55-39-30(3)15-13-16-31(39)4/h7-13,15-20,29,34-36,38H,14,21-28H2,1-6H3,(H,44,51)(H,45,49)(H,46,48)(H2,52,53,54)/t34-,35-,36?,38-/m0/s1