2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-[5-(4-carbamimidoylphenyl)pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-[5-(4-carbamimidoylphenyl)pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-[5-(4-carbamimidoylphenyl)pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-[5-(4-carbamimidoylphenyl)pentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoyl-(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butyric acid Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCC1=CC=C(C=C1)C(=N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCC1=CC=C(C=C1)C(=N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C21H30N4O6/c1-12(2)18(21(30)31)25(20(29)15(22)11-17(27)28)16(26)6-4-3-5-13-7-9-14(10-8-13)19(23)24/h7-10,12,15,18H,3-6,11,22H2,1-2H3,(H3,23,24)(H,27,28)(H,30,31)