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

Systemtic Name: 3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-5H-1,2-oxazole-2-carboxamide Openeye Name: 3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)-5H-isoxazole-2-carboxamide CAS Name: 3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-N-methylsulfonyl-N-[oxo(2-pyrrolidinyl)methyl]-5H-isoxazole-2-carboxamide IUPAC Name: 3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)-5H-1,2-oxazole-2-carboxamide Traditional Name: 4-amidino-N-mesyl-3,5-diphenylalanyl-N-prolyl-3-isoxazoline-2-carboxamide Formula: C29H35N7O7S MolecularWeight: 625.6959

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1CCCN1)C(=O)N2C(=C(C(O2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1CCCN1)C(=O)N2C(=C(C(O2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C29H35N7O7S/c1-44(41,42)36(28(39)21-13-8-14-34-21)29(40)35-23(24(37)19(30)15-17-9-4-2-5-10-17)22(27(32)33)26(43-35)25(38)20(31)16-18-11-6-3-7-12-18/h2-7,9-12,19-21,26,34H,8,13-16,30-31H2,1H3,(H3,32,33)