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

Systemtic Name: (3S)-4-azido-3-[[4-[(2-phenylpropanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(2-phenylpropanoylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[[(1-oxo-2-phenylpropyl)amino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(2-phenylpropanoylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(hydratropoylamino)methyl]benzoyl]amino]butyric acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-14(16-5-3-2-4-6-16)20(29)23-12-15-7-9-17(10-8-15)21(30)25-18(11-19(27)28)13-24-26-22/h2-10,14,18H,11-13H2,1H3,(H,23,29)(H,25,30)(H,27,28)/t14?,18-/m0/s1