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

Systemtic Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[benzyl-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCC(=O)O)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)N(CCC(=O)O)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H26N2O5S2/c28-24(29)12-13-26(16-18-6-2-1-3-7-18)25(30)23-15-21(33)17-27(23)34(31,32)22-11-10-19-8-4-5-9-20(19)14-22/h1-11,14,21,23,33H,12-13,15-17H2,(H,28,29)