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

Systemtic Name: (2S)-2-[[(3S)-3-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-diazanyl-heptanedioic acid Openeye Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-6-hydrazino-heptanedioic acid CAS Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-6-hydrazinylheptanedioic acid IUPAC Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-oxobutanoyl]amino]-6-hydrazinylheptanedioic acid Traditional Name: (2S)-2-[[(3S)-3-acetamido-4-hydroxy-4-keto-butanoyl]amino]-6-hydrazino-pimelic acid Formula: C13H22N4O8 MolecularWeight: 362.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O8/c1-6(18)15-9(13(24)25)5-10(19)16-7(11(20)21)3-2-4-8(17-14)12(22)23/h7-9,17H,2-5,14H2,1H3,(H,15,18)(H,16,19)(H,20,21)(H,22,23)(H,24,25)/t7-,8?,9-/m0/s1