ethyl N-[27-azanyl-3,26-bis(oxidanyl)-11-oxidanylidene-octacosan-2-yl]carbamate

Systemtic Name: ethyl N-[27-azanyl-3,26-bis(oxidanyl)-11-oxidanylidene-octacosan-2-yl]carbamate Openeye Name: ethyl N-(26-amino-2,25-dihydroxy-1-methyl-10-oxo-heptacosyl)carbamate CAS Name: N-(27-amino-3,26-dihydroxy-11-oxooctacosan-2-yl)carbamic acid ethyl ester IUPAC Name: ethyl N-(27-amino-3,26-dihydroxy-11-oxooctacosan-2-yl)carbamate Traditional Name: N-(26-amino-2,25-dihydroxy-10-keto-1-methyl-heptacosyl)carbamic acid ethyl ester Formula: C31H62N2O5 MolecularWeight: 542.83438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C)C(CCCCCCCC(=O)CCCCCCCCCCCCCCC(C(C)N)O)O

Isomeric SMILES

CCOC(=O)NC(C)C(CCCCCCCC(=O)CCCCCCCCCCCCCCC(C(C)N)O)O

InChI

InChI=1S/C31H62N2O5/c1-4-38-31(37)33-27(3)30(36)25-21-17-13-15-19-23-28(34)22-18-14-11-9-7-5-6-8-10-12-16-20-24-29(35)26(2)32/h26-27,29-30,35-36H,4-25,32H2,1-3H3,(H,33,37)