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

Systemtic Name: 3-[cyclopropyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]propanoic acid Openeye Name: 3-[cyclopropyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[cyclopropyl-[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[cyclopropyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[cyclopropyl-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CC1N(CCC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C21H24N2O5S2/c24-20(25)9-10-22(16-6-7-16)21(26)19-12-17(29)13-23(19)30(27,28)18-8-5-14-3-1-2-4-15(14)11-18/h1-5,8,11,16-17,19,29H,6-7,9-10,12-13H2,(H,24,25)