2,5-bis(aminomethyl)-3-(3-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-ethyl-4-(hydroxymethyl)-4-oxidanyl-hexanedioic acid

Systemtic Name: 2,5-bis(aminomethyl)-3-(3-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-ethyl-4-(hydroxymethyl)-4-oxidanyl-hexanedioic acid Openeye Name: 2,5-bis(aminomethyl)-3-[1-(aminomethyl)-2-hydroxy-2-oxo-ethyl]-3-ethyl-4-hydroxy-4-(hydroxymethyl)hexanedioic acid CAS Name: 3-(3-amino-1-hydroxy-1-oxopropan-2-yl)-2,5-bis(aminomethyl)-3-ethyl-4-hydroxy-4-(hydroxymethyl)hexanedioic acid IUPAC Name: 3-(3-amino-1-hydroxy-1-oxopropan-2-yl)-2,5-bis(aminomethyl)-3-ethyl-4-hydroxy-4-(hydroxymethyl)hexanedioic acid Traditional Name: 2,5-bis(aminomethyl)-3-[1-(aminomethyl)-2-hydroxy-2-keto-ethyl]-3-ethyl-4-hydroxy-4-methylol-adipic acid Formula: C14H27N3O8 MolecularWeight: 365.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CN)C(=O)O)(C(CN)C(=O)O)C(CO)(C(CN)C(=O)O)O

Isomeric SMILES

CCC(C(CN)C(=O)O)(C(CN)C(=O)O)C(CO)(C(CN)C(=O)O)O

InChI

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