(2S)-N-[2,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-3-methyl-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-3-methyl-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-3-methyl-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,5-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoyl-3-methylphenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoyl-3-methylbenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-3-methyl-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C32H37N7O6S MolecularWeight: 647.74448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C(=O)C(CC2=CC=CC=C2)N)C(=O)N(C(=O)C3CCCN3)S(=O)(=O)N)C(=O)C(CC4=CC=CC=C4)N)C(=N)N

Isomeric SMILES

CC1=C(C(=CC(=C1C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N(C(=O)[C@@H]3CCCN3)S(=O)(=O)N)C(=O)[C@H](CC4=CC=CC=C4)N)C(=N)N

InChI

InChI=1S/C32H37N7O6S/c1-18-26(29(41)24(34)16-20-11-6-3-7-12-20)22(31(42)39(46(37,44)45)32(43)25-13-8-14-38-25)17-21(27(18)30(35)36)28(40)23(33)15-19-9-4-2-5-10-19/h2-7,9-12,17,23-25,38H,8,13-16,33-34H2,1H3,(H3,35,36)(H2,37,44,45)/t23-,24-,25-/m0/s1