(3S)-4-azido-3-[[4-[(2-phenoxyethanoylamino)methyl]cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(2-phenoxyethanoylamino)methyl]cyclohexyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]cyclohexanecarbonyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[[(1-oxo-2-phenoxyethyl)amino]methyl]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]cyclohexanecarbonyl]amino]butyric acid Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)COC2=CC=CC=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1CC(CCC1CNC(=O)COC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C20H27N5O5/c21-25-23-12-16(10-19(27)28)24-20(29)15-8-6-14(7-9-15)11-22-18(26)13-30-17-4-2-1-3-5-17/h1-5,14-16H,6-13H2,(H,22,26)(H,24,29)(H,27,28)/t14?,15?,16-/m0/s1