3,6-bis(azanyl)-4-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-ethyl-5-(hydroxymethyl)-5-oxidanyl-octanedioic acid

Systemtic Name: 3,6-bis(azanyl)-4-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-ethyl-5-(hydroxymethyl)-5-oxidanyl-octanedioic acid Openeye Name: 3,6-diamino-4-(1-amino-3-hydroxy-3-oxo-propyl)-4-ethyl-5-hydroxy-5-(hydroxymethyl)octanedioic acid CAS Name: 3,6-diamino-4-(1-amino-3-hydroxy-3-oxopropyl)-4-ethyl-5-hydroxy-5-(hydroxymethyl)octanedioic acid IUPAC Name: 3,6-diamino-4-(1-amino-3-hydroxy-3-oxopropyl)-4-ethyl-5-hydroxy-5-(hydroxymethyl)octanedioic acid Traditional Name: 3,6-diamino-4-(1-amino-3-hydroxy-3-keto-propyl)-4-ethyl-5-hydroxy-5-methylol-suberic acid Formula: C14H27N3O8 MolecularWeight: 365.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)N)(C(CC(=O)O)N)C(CO)(C(CC(=O)O)N)O

Isomeric SMILES

CCC(C(CC(=O)O)N)(C(CC(=O)O)N)C(CO)(C(CC(=O)O)N)O

InChI

InChI=1S/C14H27N3O8/c1-2-13(7(15)3-10(19)20,8(16)4-11(21)22)14(25,6-18)9(17)5-12(23)24/h7-9,18,25H,2-6,15-17H2,1H3,(H,19,20)(H,21,22)(H,23,24)