2-[cyclopropylmethyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CC1CN(CC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

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