(3S)-4-(cyclododecylcarbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(cyclododecylcarbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(cyclododecanecarbonylamino)-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[[cyclododecyl(oxo)methyl]amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-(cyclododecanecarbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-(cyclododecanecarbonylamino)-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C27H36N2O6S MolecularWeight: 516.64954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)C(=O)NC(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCCCC(CCCCC1)C(=O)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H36N2O6S/c30-25(31)19-24(29-36(34,35)23-17-16-20-12-10-11-15-22(20)18-23)27(33)28-26(32)21-13-8-6-4-2-1-3-5-7-9-14-21/h10-12,15-18,21,24,29H,1-9,13-14,19H2,(H,30,31)(H,28,32,33)/t24-/m0/s1