4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]amino]butan-2-yl]-2-oxidanyl-pentanamide

Systemtic Name: 4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]amino]butan-2-yl]-2-oxidanyl-pentanamide Openeye Name: 2-hydroxy-4-methyl-N-[(1S)-2-methyl-1-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]carbamoyl]propyl]pentanamide CAS Name: 2-hydroxy-4-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]amino]butan-2-yl]pentanamide IUPAC Name: 2-hydroxy-4-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]amino]butan-2-yl]pentanamide Traditional Name: 2-hydroxy-N-[(1S)-1-[[(6R,7R)-5-keto-7-phenyl-1,4-thiazepan-6-yl]carbamoyl]-2-methyl-propyl]-4-methyl-valeramide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-13(2)12-16(26)20(27)24-17(14(3)4)22(29)25-18-19(15-8-6-5-7-9-15)30-11-10-23-21(18)28/h5-9,13-14,16-19,26H,10-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t16?,17-,18-,19+/m0/s1