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

Systemtic Name: 3-azanyl-4-[[2-(4-carbamimidoylphenyl)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-pentanoyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-benzyl-1-(4-carbamimidoylphenyl)-2-hydroxy-2-oxo-ethyl]-pentanoyl-amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[2-(4-carbamimidoylphenyl)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-(1-oxopentyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[2-(4-carbamimidoylphenyl)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-pentanoylamino]-4-oxobutanoic acid Traditional Name: 4-[[1-(4-amidinophenyl)-1-benzyl-2-hydroxy-2-keto-ethyl]-valeryl-amino]-3-amino-4-keto-butyric acid Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C(=O)C(CC(=O)O)N)C(CC1=CC=CC=C1)(C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCCCC(=O)N(C(=O)C(CC(=O)O)N)C(CC1=CC=CC=C1)(C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C25H30N4O6/c1-2-3-9-20(30)29(23(33)19(26)14-21(31)32)25(24(34)35,15-16-7-5-4-6-8-16)18-12-10-17(11-13-18)22(27)28/h4-8,10-13,19H,2-3,9,14-15,26H2,1H3,(H3,27,28)(H,31,32)(H,34,35)