3,4-bis(2-azanyl-3-phenyl-propanoyl)-5-carbamimidoyl-1-methyl-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-pyrrole-2-carboxamide

Systemtic Name: 3,4-bis(2-azanyl-3-phenyl-propanoyl)-5-carbamimidoyl-1-methyl-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-pyrrole-2-carboxamide Openeye Name: 3,4-bis(2-amino-3-phenyl-propanoyl)-5-carbamimidoyl-1-methyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrrole-2-carboxamide CAS Name: 3,4-bis(2-amino-1-oxo-3-phenylpropyl)-5-carbamimidoyl-1-methyl-N-methylsulfonyl-N-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 3,4-bis(2-amino-3-phenylpropanoyl)-5-carbamimidoyl-1-methyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrrole-2-carboxamide Traditional Name: 5-amidino-N-mesyl-1-methyl-3,4-diphenylalanyl-N-prolyl-pyrrole-2-carboxamide Formula: C31H37N7O6S MolecularWeight: 635.73378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C1C(=O)N(C(=O)C2CCCN2)S(=O)(=O)C)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N)C(=N)N

Isomeric SMILES

CN1C(=C(C(=C1C(=O)N(C(=O)C2CCCN2)S(=O)(=O)C)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N)C(=N)N

InChI

InChI=1S/C31H37N7O6S/c1-37-25(29(34)35)23(27(39)20(32)16-18-10-5-3-6-11-18)24(28(40)21(33)17-19-12-7-4-8-13-19)26(37)31(42)38(45(2,43)44)30(41)22-14-9-15-36-22/h3-8,10-13,20-22,36H,9,14-17,32-33H2,1-2H3,(H3,34,35)