(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-oxidanyl-heptanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-oxidanyl-heptanedioic acid Openeye Name: (2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-6-hydroxy-heptanedioic acid CAS Name: (2S)-2-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-6-hydroxyheptanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-6-hydroxyheptanedioic acid Traditional Name: (2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-6-hydroxy-pimelic acid Formula: C13H20N2O9 MolecularWeight: 348.3059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC(CCCC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)O)C(=O)O

InChI

InChI=1S/C13H20N2O9/c1-6(16)14-8(5-10(18)19)11(20)15-7(12(21)22)3-2-4-9(17)13(23)24/h7-9,17H,2-5H2,1H3,(H,14,16)(H,15,20)(H,18,19)(H,21,22)(H,23,24)/t7-,8-,9?/m0/s1