(E)-7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-(2-cyanoethanoylamino)hept-2-enoic acid

Systemtic Name: (E)-7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-(2-cyanoethanoylamino)hept-2-enoic acid Openeye Name: (E)-7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2-cyanoacetyl)amino]hept-2-enoic acid CAS Name: (E)-7-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2-[(2-cyano-1-oxoethyl)amino]-2-heptenoic acid IUPAC Name: (E)-7-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2-[(2-cyanoacetyl)amino]hept-2-enoic acid Traditional Name: (E)-7-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2-[(2-cyanoacetyl)amino]hept-2-enoic acid Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

C(CCSCC(C(=O)O)N)CC=C(C(=O)O)NC(=O)CC#N

Isomeric SMILES

C(CCSCC(C(=O)O)N)C/C=C(\C(=O)O)/NC(=O)CC#N

InChI

InChI=1S/C13H19N3O5S/c14-6-5-11(17)16-10(13(20)21)4-2-1-3-7-22-8-9(15)12(18)19/h4,9H,1-3,5,7-8,15H2,(H,16,17)(H,18,19)(H,20,21)/b10-4+