2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[1-benzyl-2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[1-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]acetic acid IUPAC Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]acetic acid Traditional Name: 2-[[2-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidino]-1-benzyl-2-keto-ethyl]amino]acetic acid Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NCC(=O)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NCC(=O)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H29N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H3,25,26)(H,28,32)(H,30,31)