2-[[2-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]phenyl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid; ethanoic acid

Systemtic Name: 2-[[2-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]phenyl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[[2-[[3-[(2-amino-5-guanidino-pentanoyl)amino]benzoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: acetic acid; 2-[[2-[[[3-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]phenyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: acetic acid; 2-[[2-[[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: acetic acid; 2-[[2-[[3-[(2-amino-5-guanidino-pentanoyl)amino]benzoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C24H37N7O9 MolecularWeight: 567.59208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1=CC(=CC=C1)NC(=O)C(CCCN=C(N)N)N.CC(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1=CC(=CC=C1)NC(=O)C(CCCN=C(N)N)N.CC(=O)O

InChI

InChI=1S/C22H33N7O7.C2H4O2/c1-11(2)17(21(35)36)29-20(34)15(10-16(30)31)28-18(32)12-5-3-6-13(9-12)27-19(33)14(23)7-4-8-26-22(24)25;1-2(3)4/h3,5-6,9,11,14-15,17H,4,7-8,10,23H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)(H,30,31)(H,35,36)(H4,24,25,26);1H3,(H,3,4)