5-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-(methylsulfonylamino)-5-oxidanylidene-4-phenyl-pentanoic acid

Systemtic Name: 5-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-(methylsulfonylamino)-5-oxidanylidene-4-phenyl-pentanoic acid Openeye Name: 5-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-(methanesulfonamido)-5-oxo-4-phenyl-pentanoic acid CAS Name: 5-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-4-(methanesulfonamido)-5-oxo-4-phenylpentanoic acid IUPAC Name: 5-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-(methanesulfonamido)-5-oxo-4-phenylpentanoic acid Traditional Name: 5-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidino]-5-keto-4-(methanesulfonamido)-4-phenyl-valeric acid Formula: C25H31N5O6S MolecularWeight: 529.60854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC(=O)O)(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(CCC(=O)O)(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H31N5O6S/c1-37(35,36)29-25(14-13-21(31)32,19-6-3-2-4-7-19)24(34)30-15-5-8-20(30)23(33)28-16-17-9-11-18(12-10-17)22(26)27/h2-4,6-7,9-12,20,29H,5,8,13-16H2,1H3,(H3,26,27)(H,28,33)(H,31,32)