N-[(2S)-4-azanyl-8-(hydroxymethyl)-10-methyl-8-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-1-phenyl-undecan-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-4-azanyl-8-(hydroxymethyl)-10-methyl-8-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-1-phenyl-undecan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[(1S)-3-amino-1-benzyl-7-(hydroxymethyl)-9-methyl-2-oxo-7-(p-tolylsulfonylamino)decyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-4-amino-8-(hydroxymethyl)-10-methyl-8-[(4-methylphenyl)sulfonylamino]-3-oxo-1-phenylundecan-2-yl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-4-amino-8-(hydroxymethyl)-10-methyl-8-[(4-methylphenyl)sulfonylamino]-3-oxo-1-phenylundecan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[(1S)-3-amino-1-benzyl-2-keto-9-methyl-7-methylol-7-(tosylamino)decyl]thiophene-2-sulfonamide Formula: C30H41N3O6S3 MolecularWeight: 635.85804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)N)(CC(C)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(C(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)N)(CC(C)C)CO

InChI

InChI=1S/C30H41N3O6S3/c1-22(2)20-30(21-34,33-41(36,37)25-15-13-23(3)14-16-25)17-7-11-26(31)29(35)27(19-24-9-5-4-6-10-24)32-42(38,39)28-12-8-18-40-28/h4-6,8-10,12-16,18,22,26-27,32-34H,7,11,17,19-21,31H2,1-3H3/t26?,27-,30?/m0/s1