[(2S,3S)-1-azanyl-1-oxidanylidene-2-(2-phenoxyethanoylamino)hept-6-en-3-yl] methanesulfonate

Systemtic Name: [(2S,3S)-1-azanyl-1-oxidanylidene-2-(2-phenoxyethanoylamino)hept-6-en-3-yl] methanesulfonate Openeye Name: [(1S)-1-[(1S)-2-amino-2-oxo-1-[(2-phenoxyacetyl)amino]ethyl]pent-4-enyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,3S)-1-amino-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]hept-6-en-3-yl] ester IUPAC Name: [(2S,3S)-1-amino-1-oxo-2-[(2-phenoxyacetyl)amino]hept-6-en-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-[(1S)-2-amino-2-keto-1-[(2-phenoxyacetyl)amino]ethyl]pent-4-enyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC=C)C(C(=O)N)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)O[C@@H](CCC=C)[C@@H](C(=O)N)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O6S/c1-3-4-10-13(24-25(2,21)22)15(16(17)20)18-14(19)11-23-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3,(H2,17,20)(H,18,19)/t13-,15-/m0/s1