3-[6-[6-(methylsulfonylamino)hexanoylamino]hexanoylamino]-4-oxidanylidene-4-(tetradecylamino)butanoic acid

Systemtic Name: 3-[6-[6-(methylsulfonylamino)hexanoylamino]hexanoylamino]-4-oxidanylidene-4-(tetradecylamino)butanoic acid Openeye Name: 3-[6-[6-(methanesulfonamido)hexanoylamino]hexanoylamino]-4-oxo-4-(tetradecylamino)butanoic acid CAS Name: 3-[[6-[[6-(methanesulfonamido)-1-oxohexyl]amino]-1-oxohexyl]amino]-4-oxo-4-(tetradecylamino)butanoic acid IUPAC Name: 3-[6-[6-(methanesulfonamido)hexanoylamino]hexanoylamino]-4-oxo-4-(tetradecylamino)butanoic acid Traditional Name: 4-keto-3-[6-[6-(methanesulfonamido)hexanoylamino]hexanoylamino]-4-(myristylamino)butyric acid Formula: C31H60N4O7S MolecularWeight: 632.8957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)C(CC(=O)O)NC(=O)CCCCCNC(=O)CCCCCNS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)C(CC(=O)O)NC(=O)CCCCCNC(=O)CCCCCNS(=O)(=O)C

InChI

InChI=1S/C31H60N4O7S/c1-3-4-5-6-7-8-9-10-11-12-13-18-24-33-31(40)27(26-30(38)39)35-29(37)22-17-14-19-23-32-28(36)21-16-15-20-25-34-43(2,41)42/h27,34H,3-26H2,1-2H3,(H,32,36)(H,33,40)(H,35,37)(H,38,39)