(2S)-2-[[(3S)-3-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-oxidanylidene-heptanedioic acid

Systemtic Name: (2S)-2-[[(3S)-3-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-oxidanylidene-heptanedioic acid Openeye Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-6-oxo-heptanedioic acid CAS Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-6-oxoheptanedioic acid IUPAC Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-oxobutanoyl]amino]-6-oxoheptanedioic acid Traditional Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-keto-butanoyl]amino]-6-keto-pimelic acid Formula: C13H18N2O9 MolecularWeight: 346.29002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O9/c1-6(16)14-8(12(21)22)5-10(18)15-7(11(19)20)3-2-4-9(17)13(23)24/h7-8H,2-5H2,1H3,(H,14,16)(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-/m0/s1