N-[(4S,6S,7S)-7-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-methyl-6-oxidanyl-8-phenyl-octan-4-yl]-2-oxidanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: N-[(4S,6S,7S)-7-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-methyl-6-oxidanyl-8-phenyl-octan-4-yl]-2-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl]-2-oxo-hexahydropyrimidine-4-carboxamide CAS Name: N-[(4S,6S,7S)-7-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-6-hydroxy-2-methyl-8-phenyloctan-4-yl]-2-oxo-1,3-diazinane-4-carboxamide IUPAC Name: N-[(4S,6S,7S)-7-[[2-(2,6-dimethylphenoxy)acetyl]amino]-6-hydroxy-2-methyl-8-phenyloctan-4-yl]-2-oxo-1,3-diazinane-4-carboxamide Traditional Name: N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl]-2-keto-hexahydropyrimidine-4-carboxamide Formula: C30H42N4O5 MolecularWeight: 538.67828

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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(CC(C)C)NC(=O)C3CCNC(=O)N3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC(C)C)NC(=O)C3CCNC(=O)N3)O

InChI

InChI=1S/C30H42N4O5/c1-19(2)15-23(32-29(37)24-13-14-31-30(38)34-24)17-26(35)25(16-22-11-6-5-7-12-22)33-27(36)18-39-28-20(3)9-8-10-21(28)4/h5-12,19,23-26,35H,13-18H2,1-4H3,(H,32,37)(H,33,36)(H2,31,34,38)/t23-,24?,25-,26-/m0/s1