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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-phenyl]carbonyl-N-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-acetyl-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-acetyl-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoylphenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-acetyl-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoylbenzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-acetyl-N-[4-amidino-2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]benzoyl]pyrrolidine-2-carboxamide Formula: C33H36N6O5 MolecularWeight: 596.67614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C33H36N6O5/c1-19(40)39(33(44)26-13-8-16-38-26)32(43)23-15-14-22(31(36)37)27(29(41)24(34)17-20-9-4-2-5-10-20)28(23)30(42)25(35)18-21-11-6-3-7-12-21/h2-7,9-12,14-15,24-26,38H,8,13,16-18,34-35H2,1H3,(H3,36,37)/t24-,25-,26-/m0/s1