(2S)-2-(1,3-diazinan-1-yl)-N-[(4S,5S)-5-[2-(2,6-dimethylphenoxy)ethanoylamino]-4-oxidanyl-3-oxidanylidene-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(1,3-diazinan-1-yl)-N-[(4S,5S)-5-[2-(2,6-dimethylphenoxy)ethanoylamino]-4-oxidanyl-3-oxidanylidene-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide Openeye Name: (2S)-N-[(3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-2-oxo-5-phenyl-pentyl]-2-hexahydropyrimidin-1-yl-3-methyl-butanamide CAS Name: (2S)-2-(1,3-diazinan-1-yl)-N-[(4S,5S)-5-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-hydroxy-3-oxo-1,6-diphenylhexan-2-yl]-3-methylbutanamide IUPAC Name: (2S)-2-(1,3-diazinan-1-yl)-N-[(4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-3-oxo-1,6-diphenylhexan-2-yl]-3-methylbutanamide Traditional Name: (2S)-N-[(3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-2-keto-5-phenyl-pentyl]-2-hexahydropyrimidin-1-yl-3-methyl-butyramide Formula: C37H48N4O5 MolecularWeight: 628.80082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H48N4O5/c1-25(2)33(41-20-12-19-38-24-41)37(45)40-31(22-29-17-9-6-10-18-29)35(44)34(43)30(21-28-15-7-5-8-16-28)39-32(42)23-46-36-26(3)13-11-14-27(36)4/h5-11,13-18,25,30-31,33-34,38,43H,12,19-24H2,1-4H3,(H,39,42)(H,40,45)/t30-,31?,33-,34-/m0/s1