2,4-bis(azanyl)-3-oxidanylidene-2-[4,9,13-tris(azanyl)-1-[bis(azanyl)methylideneamino]-7-methyl-5,8-bis(oxidanylidene)tridecan-7-yl]hexanedioic acid

Systemtic Name: 2,4-bis(azanyl)-3-oxidanylidene-2-[4,9,13-tris(azanyl)-1-[bis(azanyl)methylideneamino]-7-methyl-5,8-bis(oxidanylidene)tridecan-7-yl]hexanedioic acid Openeye Name: 2,4-diamino-2-[3,7-diamino-1-(3-amino-6-guanidino-2-oxo-hexyl)-1-methyl-2-oxo-heptyl]-3-oxo-hexanedioic acid CAS Name: 2,4-diamino-3-oxo-2-[4,9,13-triamino-1-(diaminomethylideneamino)-7-methyl-5,8-dioxotridecan-7-yl]hexanedioic acid IUPAC Name: 2,4-diamino-3-oxo-2-[4,9,13-triamino-1-(diaminomethylideneamino)-7-methyl-5,8-dioxotridecan-7-yl]hexanedioic acid Traditional Name: 2,4-diamino-2-[3,7-diamino-1-(3-amino-6-guanidino-2-keto-hexyl)-2-keto-1-methyl-heptyl]-3-keto-adipic acid Formula: C21H40N8O7 MolecularWeight: 516.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CCCN=C(N)N)N)(C(=O)C(CCCCN)N)C(C(=O)C(CC(=O)O)N)(C(=O)O)N

Isomeric SMILES

CC(CC(=O)C(CCCN=C(N)N)N)(C(=O)C(CCCCN)N)C(C(=O)C(CC(=O)O)N)(C(=O)O)N

InChI

InChI=1S/C21H40N8O7/c1-20(16(33)12(24)5-2-3-7-22,10-14(30)11(23)6-4-8-29-19(26)27)21(28,18(35)36)17(34)13(25)9-15(31)32/h11-13H,2-10,22-25,28H2,1H3,(H,31,32)(H,35,36)(H4,26,27,29)