(2S)-2-azaniumyl-6-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-but-3-en-2-yl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-but-3-en-2-yl]amino]-6-oxidanylidene-hexanoate Openeye Name: (2S)-2-azaniumyl-6-[[(1S)-1-(carboxymethylcarbamoyl)allyl]amino]-6-oxo-hexanoate CAS Name: (2S)-2-ammonio-6-[[(2S)-1-(carboxymethylamino)-1-oxobut-3-en-2-yl]amino]-6-oxohexanoate IUPAC Name: (2S)-2-azaniumyl-6-[[(2S)-1-(carboxymethylamino)-1-oxobut-3-en-2-yl]amino]-6-oxohexanoate Traditional Name: (2S)-2-ammonio-6-[[(1S)-1-(carboxymethylcarbamoyl)allyl]amino]-6-keto-hexanoate Formula: C12H19N3O6 MolecularWeight: 301.29576

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)NCC(=O)O)NC(=O)CCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C=C[C@@H](C(=O)NCC(=O)O)NC(=O)CCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H19N3O6/c1-2-8(11(19)14-6-10(17)18)15-9(16)5-3-4-7(13)12(20)21/h2,7-8H,1,3-6,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1