(3S)-4-(1-adamantylcarbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(1-adamantylcarbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(adamantane-1-carbonylamino)-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[[1-adamantyl(oxo)methyl]amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-(adamantane-1-carbonylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-(adamantane-1-carbonylamino)-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=O)C(CC(=O)O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H28N2O6S/c28-22(29)11-21(27-34(32,33)20-6-5-18-3-1-2-4-19(18)10-20)23(30)26-24(31)25-12-15-7-16(13-25)9-17(8-15)14-25/h1-6,10,15-17,21,27H,7-9,11-14H2,(H,28,29)(H,26,30,31)/t15?,16?,17?,21-,25?/m0/s1