2-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)-6-(4-heptoxyphenyl)-3,4-bis(oxidanyl)hexanoic acid

Systemtic Name: 2-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)-6-(4-heptoxyphenyl)-3,4-bis(oxidanyl)hexanoic acid Openeye Name: 2-amino-2-(2-amino-2-oxo-ethyl)-6-(4-heptoxyphenyl)-3,4-dihydroxy-hexanoic acid CAS Name: 2-amino-2-(2-amino-2-oxoethyl)-6-(4-heptoxyphenyl)-3,4-dihydroxyhexanoic acid IUPAC Name: 2-amino-2-(2-amino-2-oxoethyl)-6-(4-heptoxyphenyl)-3,4-dihydroxyhexanoic acid Traditional Name: 2-amino-2-(2-amino-2-keto-ethyl)-6-(4-heptoxyphenyl)-3,4-dihydroxy-hexanoic acid Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(C(C(CC(=O)N)(C(=O)O)N)O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(C(C(CC(=O)N)(C(=O)O)N)O)O

InChI

InChI=1S/C21H34N2O6/c1-2-3-4-5-6-13-29-16-10-7-15(8-11-16)9-12-17(24)19(26)21(23,20(27)28)14-18(22)25/h7-8,10-11,17,19,24,26H,2-6,9,12-14,23H2,1H3,(H2,22,25)(H,27,28)