6-azanyl-2-[(5-methoxy-1H-indol-3-yl)carbonyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[(5-methoxy-1H-indol-3-yl)carbonyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[(5-methoxy-1H-indole-3-carbonyl)-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(5-methoxy-1H-indol-3-yl)-oxomethyl]-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[(5-methoxy-1H-indole-3-carbonyl)-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[(5-methoxy-1H-indole-3-carbonyl)-(1-tosylprolyl)amino]hexanoic acid Formula: C28H34N4O7S MolecularWeight: 570.65716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3=CNC4=C3C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3=CNC4=C3C=C(C=C4)OC

InChI

InChI=1S/C28H34N4O7S/c1-18-8-11-20(12-9-18)40(37,38)31-15-5-7-24(31)27(34)32(25(28(35)36)6-3-4-14-29)26(33)22-17-30-23-13-10-19(39-2)16-21(22)23/h8-13,16-17,24-25,30H,3-7,14-15,29H2,1-2H3,(H,35,36)