1-[4-(2-azanylethylsulfanyl)-2-[(4-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(2-azanylethylsulfanyl)-2-[(4-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(2-aminoethylsulfanyl)-2-[[1-carboxy-3-(2-naphthyl)propyl]amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(2-aminoethylthio)-2-[[1-hydroxy-4-(2-naphthalenyl)-1-oxobutan-2-yl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(2-aminoethylsulfanyl)-2-[(1-hydroxy-4-naphthalen-2-yl-1-oxobutan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(2-aminoethylthio)-2-[[1-carboxy-3-(2-naphthyl)propyl]amino]butanoyl]proline Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCSCCN)NC(CCC2=CC3=CC=CC=C3C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCSCCN)NC(CCC2=CC3=CC=CC=C3C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C25H33N3O5S/c26-12-15-34-14-11-20(23(29)28-13-3-6-22(28)25(32)33)27-21(24(30)31)10-8-17-7-9-18-4-1-2-5-19(18)16-17/h1-2,4-5,7,9,16,20-22,27H,3,6,8,10-15,26H2,(H,30,31)(H,32,33)