methyl (Z)-5-(2-azanylpropanoylamino)-2-(ethynylamino)pent-2-enoate dihydrobromide

Systemtic Name: methyl (Z)-5-(2-azanylpropanoylamino)-2-(ethynylamino)pent-2-enoate dihydrobromide Openeye Name: methyl (Z)-5-(2-aminopropanoylamino)-2-(ethynylamino)pent-2-enoate dihydrobromide CAS Name: (Z)-5-[(2-amino-1-oxopropyl)amino]-2-(ethynylamino)-2-pentenoic acid methyl ester dihydrobromide IUPAC Name: methyl (Z)-5-(2-aminopropanoylamino)-2-(ethynylamino)pent-2-enoate dihydrobromide Traditional Name: (Z)-5-(alanylamino)-2-(ethynylamino)pent-2-enoic acid methyl ester dihydrobromide Formula: C11H19Br2N3O3 MolecularWeight: 401.09486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC=C(C(=O)OC)NC#C)N.Br.Br

Isomeric SMILES

CC(C(=O)NCC/C=C(/C(=O)OC)\NC#C)N.Br.Br

InChI

InChI=1S/C11H17N3O3.2BrH/c1-4-13-9(11(16)17-3)6-5-7-14-10(15)8(2)12;;/h1,6,8,13H,5,7,12H2,2-3H3,(H,14,15);2*1H/b9-6-;;