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

Systemtic Name: 6-azanyl-2-[2-(1H-indol-3-yl)ethanoyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(1H-indol-3-yl)acetyl]-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-(1H-indol-3-yl)-1-oxoethyl]-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-(1H-indol-3-yl)acetyl]-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-(1H-indol-3-yl)acetyl]-(1-tosylprolyl)amino]hexanoic acid Formula: C28H34N4O6S MolecularWeight: 554.65776

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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)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H34N4O6S/c1-19-11-13-21(14-12-19)39(37,38)31-16-6-10-24(31)27(34)32(25(28(35)36)9-4-5-15-29)26(33)17-20-18-30-23-8-3-2-7-22(20)23/h2-3,7-8,11-14,18,24-25,30H,4-6,9-10,15-17,29H2,1H3,(H,35,36)