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

Systemtic Name: (3S)-4-azido-3-[[4-[(2-phenoxyethanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[[(1-oxo-2-phenoxyethyl)amino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[[(2-phenoxyacetyl)amino]methyl]benzoyl]amino]butyric acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C20H21N5O5/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/h1-9,16H,10-13H2,(H,22,26)(H,24,29)(H,27,28)/t16-/m0/s1