4-methyl-2-oxidanyl-N-[(2S)-1-oxidanylidene-1-[[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]amino]propan-2-yl]pentanamide

Systemtic Name: 4-methyl-2-oxidanyl-N-[(2S)-1-oxidanylidene-1-[[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]amino]propan-2-yl]pentanamide Openeye Name: 2-hydroxy-4-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]amino]ethyl]pentanamide CAS Name: 2-hydroxy-4-methyl-N-[(2S)-1-oxo-1-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]amino]propan-2-yl]pentanamide IUPAC Name: 2-hydroxy-4-methyl-N-[(2S)-1-oxo-1-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]amino]propan-2-yl]pentanamide Traditional Name: 2-hydroxy-N-[(1S)-2-keto-2-[[(6R,7R)-5-keto-7-phenyl-1,4-thiazepan-6-yl]amino]-1-methyl-ethyl]-4-methyl-valeramide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC1C(SCCNC1=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1[C@H](SCCNC1=O)C2=CC=CC=C2)NC(=O)C(CC(C)C)O

InChI

InChI=1S/C20H29N3O4S/c1-12(2)11-15(24)19(26)22-13(3)18(25)23-16-17(14-7-5-4-6-8-14)28-10-9-21-20(16)27/h4-8,12-13,15-17,24H,9-11H2,1-3H3,(H,21,27)(H,22,26)(H,23,25)/t13-,15?,16-,17+/m0/s1