2-azanyl-5-[(1-methylindol-5-yl)sulfonyl-(3,4,5-trimethoxyphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[(1-methylindol-5-yl)sulfonyl-(3,4,5-trimethoxyphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-oxo-5-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonyl-anilino)pentanoic acid CAS Name: 2-amino-5-oxo-5-[3,4,5-trimethoxy-N-[(1-methyl-5-indolyl)sulfonyl]anilino]pentanoic acid IUPAC Name: 2-amino-5-oxo-5-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonylanilino)pentanoic acid Traditional Name: 2-amino-5-keto-5-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonyl-anilino)valeric acid Formula: C23H27N3O8S MolecularWeight: 505.54078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N(C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N(C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC(C(=O)O)N

InChI

InChI=1S/C23H27N3O8S/c1-25-10-9-14-11-16(5-7-18(14)25)35(30,31)26(21(27)8-6-17(24)23(28)29)15-12-19(32-2)22(34-4)20(13-15)33-3/h5,7,9-13,17H,6,8,24H2,1-4H3,(H,28,29)