2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-4-[(4-dimethylaminophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-4-[(4-dimethylaminophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[[2-amino-2-(2-thienyl)acetyl]-(p-tolylsulfonyl)amino]-4-[(4-dimethylaminophenyl)methylamino]-4-oxo-butanoic acid CAS Name: 2-[(2-amino-1-oxo-2-thiophen-2-ylethyl)-(4-methylphenyl)sulfonylamino]-4-[(4-dimethylaminophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 2-[(2-amino-2-thiophen-2-ylacetyl)-(4-methylphenyl)sulfonylamino]-4-[(4-dimethylaminophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 2-[[2-amino-2-(2-thienyl)acetyl]-tosyl-amino]-4-[[4-(dimethylamino)benzyl]amino]-4-keto-butyric acid Formula: C26H30N4O6S2 MolecularWeight: 558.6696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)O)C(=O)C(C3=CC=CS3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)O)C(=O)C(C3=CC=CS3)N

InChI

InChI=1S/C26H30N4O6S2/c1-17-6-12-20(13-7-17)38(35,36)30(25(32)24(27)22-5-4-14-37-22)21(26(33)34)15-23(31)28-16-18-8-10-19(11-9-18)29(2)3/h4-14,21,24H,15-16,27H2,1-3H3,(H,28,31)(H,33,34)