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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-phenyl]carbonyl-N-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-benzoyl]-N-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoylphenyl]-oxomethyl]-N-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoylbenzoyl]-N-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]benzoyl]-N-mesyl-pyrrolidine-2-carboxamide Formula: C32H36N6O6S MolecularWeight: 632.72984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1CCCN1)C(=O)C2=C(C(=C(C=C2)C(=N)N)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CS(=O)(=O)N(C(=O)[C@@H]1CCCN1)C(=O)C2=C(C(=C(C=C2)C(=N)N)C(=O)[C@H](CC3=CC=CC=C3)N)C(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C32H36N6O6S/c1-45(43,44)38(32(42)25-13-8-16-37-25)31(41)22-15-14-21(30(35)36)26(28(39)23(33)17-19-9-4-2-5-10-19)27(22)29(40)24(34)18-20-11-6-3-7-12-20/h2-7,9-12,14-15,23-25,37H,8,13,16-18,33-34H2,1H3,(H3,35,36)/t23-,24-,25-/m0/s1