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

Systemtic Name: 3-[1H-indol-3-ylmethyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]propanoic acid Openeye Name: 3-[1H-indol-3-ylmethyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[1H-indol-3-ylmethyl-[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1H-indol-3-ylmethyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[1H-indol-3-ylmethyl-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCC(=O)O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)N(CCC(=O)O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C27H27N3O5S2/c31-26(32)11-12-29(16-20-15-28-24-8-4-3-7-23(20)24)27(33)25-14-21(36)17-30(25)37(34,35)22-10-9-18-5-1-2-6-19(18)13-22/h1-10,13,15,21,25,28,36H,11-12,14,16-17H2,(H,31,32)