(2S)-1-[(2R)-2-acetamido-3,3-diphenyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-acetamido-3,3-diphenyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-acetamido-3,3-diphenyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-acetamido-1-oxo-3,3-diphenylpropyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-acetamido-3,3-diphenylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-acetamido-3,3-diphenyl-propanoyl]-N-(4-amidinobenzyl)pyrrolidine-2-carboxamide Formula: C30H33N5O3 MolecularWeight: 511.61472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)N[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C30H33N5O3/c1-20(36)34-27(26(22-9-4-2-5-10-22)23-11-6-3-7-12-23)30(38)35-18-8-13-25(35)29(37)33-19-21-14-16-24(17-15-21)28(31)32/h2-7,9-12,14-17,25-27H,8,13,18-19H2,1H3,(H3,31,32)(H,33,37)(H,34,36)/t25-,27+/m0/s1