3,4-diacetyloxy-5-[[4-(decylamino)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,4-diacetyloxy-5-[[4-(decylamino)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 3,4-diacetoxy-5-[[4-(decylamino)benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 3,4-diacetyloxy-5-[[[4-(decylamino)phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 3,4-diacetyloxy-5-[[4-(decylamino)benzoyl]amino]-5-oxopentanoic acid Traditional Name: 3,4-diacetoxy-5-[[4-(decylamino)benzoyl]amino]-5-keto-valeric acid Formula: C26H38N2O8 MolecularWeight: 506.58852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)C(C(CC(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)C(C(CC(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H38N2O8/c1-4-5-6-7-8-9-10-11-16-27-21-14-12-20(13-15-21)25(33)28-26(34)24(36-19(3)30)22(17-23(31)32)35-18(2)29/h12-15,22,24,27H,4-11,16-17H2,1-3H3,(H,31,32)(H,28,33,34)