3-azanyl-4-(hexatriacontan-18-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-(hexatriacontan-18-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(1-heptadecylnonadecylamino)-4-oxo-butanoic acid CAS Name: 3-amino-4-(hexatriacontan-18-ylamino)-4-oxobutanoic acid IUPAC Name: 3-amino-4-(hexatriacontan-18-ylamino)-4-oxobutanoic acid Traditional Name: 3-amino-4-(1-heptadecylnonadecylamino)-4-keto-butyric acid Formula: C40H80N2O3 MolecularWeight: 637.0748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(42-40(45)38(41)36-39(43)44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36,41H2,1-2H3,(H,42,45)(H,43,44)