carboxymethyl-[(3S)-4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-methyl-sulfanium

Systemtic Name: carboxymethyl-[(3S)-4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-methyl-sulfanium Openeye Name: [(3S)-3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-oxo-butyl]-(carboxymethyl)-methyl-sulfonium CAS Name: carboxymethyl-[(3S)-4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-methylsulfonium IUPAC Name: carboxymethyl-[(3S)-4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-methylsulfanium Traditional Name: [(3S)-3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-keto-butyl]-(carboxymethyl)-methyl-sulfonium Formula: C22H24N3O5S+ MolecularWeight: 442.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C[S+](CC[C@@H](C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-31(15-20(26)27)12-11-19(21(28)24-18-9-7-16(13-23)8-10-18)25-22(29)30-14-17-5-3-2-4-6-17/h2-10,19H,11-12,14-15H2,1H3,(H2-,24,25,26,27,28,29)/p+1/t19-,31?/m0/s1