2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-valeric acid Formula: C22H39N9O6 MolecularWeight: 525.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C22H39N9O6/c1-11(2)7-15(31-20(35)17(23)12(3)32)18(33)30-16(8-13-9-26-10-28-13)19(34)29-14(21(36)37)5-4-6-27-22(24)25/h9-12,14-17,32H,4-8,23H2,1-3H3,(H,26,28)(H,29,34)(H,30,33)(H,31,35)(H,36,37)(H4,24,25,27)