2-azanyl-6-[[5-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)-ethanimidoyl-amino]-5-oxidanylidene-pentanoyl]-ethanimidoyl-amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[5-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)-ethanimidoyl-amino]-5-oxidanylidene-pentanoyl]-ethanimidoyl-amino]hexanoic acid Openeye Name: 2-amino-6-[[5-[(5-amino-6-hydroxy-6-oxo-hexyl)-ethanimidoyl-amino]-5-oxo-pentanoyl]-ethanimidoyl-amino]hexanoic acid CAS Name: 2-amino-6-[[5-[(5-amino-6-hydroxy-6-oxohexyl)-(1-iminoethyl)amino]-1,5-dioxopentyl]-(1-iminoethyl)amino]hexanoic acid IUPAC Name: 2-amino-6-[[5-[(5-amino-6-hydroxy-6-oxohexyl)-ethanimidoylamino]-5-oxopentanoyl]-ethanimidoylamino]hexanoic acid Traditional Name: 6-[acetimidoyl-[5-[acetimidoyl-(5-amino-6-hydroxy-6-keto-hexyl)amino]-5-keto-pentanoyl]amino]-2-amino-hexanoic acid Formula: C21H38N6O6 MolecularWeight: 470.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N(CCCCC(C(=O)O)N)C(=O)CCCC(=O)N(CCCCC(C(=O)O)N)C(=N)C

Isomeric SMILES

CC(=N)N(CCCCC(C(=O)O)N)C(=O)CCCC(=O)N(CCCCC(C(=O)O)N)C(=N)C

InChI

InChI=1S/C21H38N6O6/c1-14(22)26(12-5-3-8-16(24)20(30)31)18(28)10-7-11-19(29)27(15(2)23)13-6-4-9-17(25)21(32)33/h16-17,22-23H,3-13,24-25H2,1-2H3,(H,30,31)(H,32,33)