2-[[2-azanyl-4-(2-methylpropoxy)-4-oxidanylidene-butanoyl]-[9-[bis(azanyl)methylideneamino]nonanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-azanyl-4-(2-methylpropoxy)-4-oxidanylidene-butanoyl]-[9-[bis(azanyl)methylideneamino]nonanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[(2-amino-4-isobutoxy-4-oxo-butanoyl)-(9-guanidinononanoyl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-amino-4-(2-methylpropoxy)-1,4-dioxobutyl]-[9-(diaminomethylideneamino)-1-oxononyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-amino-4-(2-methylpropoxy)-4-oxobutanoyl]-[9-(diaminomethylideneamino)nonanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(2-amino-4-isobutoxy-4-keto-butanoyl)-(9-guanidinononanoyl)amino]-5-guanidino-valeric acid Formula: C24H46N8O6 MolecularWeight: 542.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC(C(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)CCCCCCCCN=C(N)N)N

Isomeric SMILES

CC(C)COC(=O)CC(C(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)CCCCCCCCN=C(N)N)N

InChI

InChI=1S/C24H46N8O6/c1-16(2)15-38-20(34)14-17(25)21(35)32(18(22(36)37)10-9-13-31-24(28)29)19(33)11-7-5-3-4-6-8-12-30-23(26)27/h16-18H,3-15,25H2,1-2H3,(H,36,37)(H4,26,27,30)(H4,28,29,31)