(3S)-4-azido-3-[6-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonylamino]hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonylamino]hexanoylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[6-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]hexanoylamino]butanoic acid CAS Name: (3S)-4-azido-3-[[6-[[(2,2-dimethyl-4-oxo-3H-pyran-6-yl)-oxomethyl]amino]-1-oxohexyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[6-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]hexanoylamino]butanoic acid Traditional Name: (3S)-4-azido-3-[6-[(4-keto-2,2-dimethyl-3H-pyran-6-carbonyl)amino]hexanoylamino]butyric acid Formula: C18H27N5O6 MolecularWeight: 409.43688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)NCCCCCC(=O)NC(CC(=O)O)CN=[N+]=[N-])C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-])C

InChI

InChI=1S/C18H27N5O6/c1-18(2)10-13(24)9-14(29-18)17(28)20-7-5-3-4-6-15(25)22-12(8-16(26)27)11-21-23-19/h9,12H,3-8,10-11H2,1-2H3,(H,20,28)(H,22,25)(H,26,27)/t12-/m0/s1