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

Systemtic Name: (2S)-N-[2,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-3-methoxy-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-3-methoxy-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,5-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoyl-3-methoxyphenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoyl-3-methoxybenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-3-methoxy-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C32H37N7O7S MolecularWeight: 663.74388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C32H37N7O7S/c1-46-29-25(28(41)23(34)16-19-11-6-3-7-12-19)21(31(42)39(47(37,44)45)32(43)24-13-8-14-38-24)17-20(26(29)30(35)36)27(40)22(33)15-18-9-4-2-5-10-18/h2-7,9-12,17,22-24,38H,8,13-16,33-34H2,1H3,(H3,35,36)(H2,37,44,45)/t22-,23-,24-/m0/s1