2-[[4-(aminomethyl)-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(aminomethyl)-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(aminomethyl)-3-(5-oxopyrrolidine-2-carbonyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(aminomethyl)-3-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(aminomethyl)-3-(5-oxopyrrolidine-2-carbonyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(aminomethyl)-2-phenyl-3-pyroglutamoyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C(=C(C=C1)CN)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C(=C(C=C1)CN)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-33-12-11-18(24(31)32)27-23(30)16-8-7-15(13-25)21(20(16)14-5-3-2-4-6-14)22(29)17-9-10-19(28)26-17/h2-8,17-18H,9-13,25H2,1H3,(H,26,28)(H,27,30)(H,31,32)