3-(1H-indol-3-yl)-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C26H25N3O5S2/c30-25(28-23(26(31)32)12-18-14-27-22-8-4-3-7-21(18)22)24-13-19(35)15-29(24)36(33,34)20-10-9-16-5-1-2-6-17(16)11-20/h1-11,14,19,23-24,27,35H,12-13,15H2,(H,28,30)(H,31,32)