2-azanyl-3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanyl-propanoic acid Openeye Name: 3-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanyl-2-amino-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(allylcarbamoylamino)-2-keto-ethyl]thio]-2-amino-propionic acid Formula: C9H15N3O4S MolecularWeight: 261.2981

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C=CCNC(=O)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C9H15N3O4S/c1-2-3-11-9(16)12-7(13)5-17-4-6(10)8(14)15/h2,6H,1,3-5,10H2,(H,14,15)(H2,11,12,13,16)