3-[[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-3-yl]carbonylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-3-yl]carbonylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[[1-(4-carbamimidoylbenzoyl)pyrrolidine-3-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylphenyl)-oxomethyl]-3-pyrrolidinyl]-oxomethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-(4-carbamimidoylbenzoyl)pyrrolidine-3-carbonyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[1-(4-amidinobenzoyl)pyrrolidine-3-carbonyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C26H29N5O7 MolecularWeight: 523.53776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H29N5O7/c27-22(28)16-6-8-17(9-7-16)25(36)31-11-10-18(14-31)23(34)29-19(13-21(32)33)24(35)30-20(26(37)38)12-15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H3,27,28)(H,29,34)(H,30,35)(H,32,33)(H,37,38)