2-[[4-azanyl-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]hex-5-enoyl]amino]propanoic acid

Systemtic Name: 2-[[4-azanyl-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]hex-5-enoyl]amino]propanoic acid Openeye Name: 2-[[4-amino-4-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]hex-5-enoyl]amino]propanoic acid CAS Name: 2-[[4-amino-4-[[(1-hydroxy-1-oxopropan-2-yl)amino]-oxomethyl]-1-oxohex-5-enyl]amino]propanoic acid IUPAC Name: 2-[[4-amino-4-[(1-hydroxy-1-oxopropan-2-yl)carbamoyl]hex-5-enoyl]amino]propanoic acid Traditional Name: 2-[[4-amino-4-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]hex-5-enoyl]amino]propionic acid Formula: C13H21N3O6 MolecularWeight: 315.32234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC(C=C)(C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CC(C(=O)O)NC(=O)CCC(C=C)(C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C13H21N3O6/c1-4-13(14,12(22)16-8(3)11(20)21)6-5-9(17)15-7(2)10(18)19/h4,7-8H,1,5-6,14H2,2-3H3,(H,15,17)(H,16,22)(H,18,19)(H,20,21)