3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-1-oxoethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]acetyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1CC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H27N5O6/c25-21(26)16-6-8-18(9-7-16)29-11-10-17(22(29)31)12-20(30)27-13-19(23(32)33)28-24(34)35-14-15-4-2-1-3-5-15/h1-9,17,19H,10-14H2,(H3,25,26)(H,27,30)(H,28,34)(H,32,33)