4-azanyl-2-(hexadecoxycarbonylamino)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(hexadecoxycarbonylamino)-3-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(hexadecoxycarbonylamino)-3-oxo-butanoic acid CAS Name: 4-amino-2-[[hexadecoxy(oxo)methyl]amino]-3-oxobutanoic acid IUPAC Name: 4-amino-2-(hexadecoxycarbonylamino)-3-oxobutanoic acid Traditional Name: 4-amino-2-(cetyloxycarbonylamino)-3-keto-butyric acid Formula: C21H40N2O5 MolecularWeight: 400.5527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NC(C(=O)CN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NC(C(=O)CN)C(=O)O

InChI

InChI=1S/C21H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-21(27)23-19(20(25)26)18(24)17-22/h19H,2-17,22H2,1H3,(H,23,27)(H,25,26)