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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-phenyl]carbonyl-N-phenyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-benzoyl]-N-phenyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoylphenyl]-oxomethyl]-N-phenyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoylbenzoyl]-N-phenylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]benzoyl]-N-phenyl-pyrrolidine-2-carboxamide Formula: C37H38N6O4 MolecularWeight: 630.73542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)C(=N)N)C(=O)C(CC4=CC=CC=C4)N)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1C[C@H](NC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)C(=N)N)C(=O)[C@H](CC4=CC=CC=C4)N)C(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C37H38N6O4/c38-28(21-23-11-4-1-5-12-23)33(44)31-26(35(40)41)18-19-27(32(31)34(45)29(39)22-24-13-6-2-7-14-24)36(46)43(25-15-8-3-9-16-25)37(47)30-17-10-20-42-30/h1-9,11-16,18-19,28-30,42H,10,17,20-22,38-39H2,(H3,40,41)/t28-,29-,30-/m0/s1