2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[9-[bis(azanyl)methylideneamino]nonanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[9-[bis(azanyl)methylideneamino]nonanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-5-guanidino-pentanoyl]-(9-guanidinononanoyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]-[9-(diaminomethylideneamino)-1-oxononyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]-[9-(diaminomethylideneamino)nonanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-5-guanidino-pentanoyl]-(9-guanidinononanoyl)amino]-3-methyl-valeric acid Formula: C26H49N9O7 MolecularWeight: 599.72336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C26H49N9O7/c1-3-16(2)21(24(41)42)35(19(36)12-8-6-4-5-7-9-13-32-25(28)29)23(40)18(11-10-14-33-26(30)31)34-22(39)17(27)15-20(37)38/h16-18,21H,3-15,27H2,1-2H3,(H,34,39)(H,37,38)(H,41,42)(H4,28,29,32)(H4,30,31,33)