(2S)-2-acetamido-N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-pentyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-pentyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-pentyl-amino]propyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-pentylamino]-1-phenylbutan-2-yl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-pentylamino]-1-phenylbutan-2-yl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[(1S,2R)-3-[amyl-(4-methoxyphenyl)sulfonyl-amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-butyramide Formula: C29H43N3O6S MolecularWeight: 561.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C29H43N3O6S/c1-6-7-11-18-32(39(36,37)25-16-14-24(38-5)15-17-25)20-27(34)26(19-23-12-9-8-10-13-23)31-29(35)28(21(2)3)30-22(4)33/h8-10,12-17,21,26-28,34H,6-7,11,18-20H2,1-5H3,(H,30,33)(H,31,35)/t26-,27+,28-/m0/s1