[4-methyl-1-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-1-oxidanylidene-pentan-2-yl]carbamic acid

Systemtic Name: [4-methyl-1-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-1-oxidanylidene-pentan-2-yl]carbamic acid Openeye Name: [3-methyl-1-[[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]butyl]carbamic acid CAS Name: [1-[[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid IUPAC Name: [4-methyl-1-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-1-oxopentan-2-yl]carbamic acid Traditional Name: [1-[[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]carbamoyl]-3-methyl-butyl]carbamic acid Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C1CC(CN1)S)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(C1CC(CN1)S)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)O

InChI

InChI=1S/C22H29N3O5S2/c1-13(2)9-18(24-22(27)28)20(26)25-21(19-11-16(31)12-23-19)32(29,30)17-8-7-14-5-3-4-6-15(14)10-17/h3-8,10,13,16,18-19,21,23-24,31H,9,11-12H2,1-2H3,(H,25,26)(H,27,28)