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

Systemtic Name: (3S)-4-azido-3-[[4-[(phenylcarbamoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(phenylcarbamoylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-3-[[[4-[[[anilino(oxo)methyl]amino]methyl]phenyl]-oxomethyl]amino]-4-azidobutanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(phenylcarbamoylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(phenylcarbamoylamino)methyl]benzoyl]amino]butyric acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4/c20-25-22-12-16(10-17(26)27)23-18(28)14-8-6-13(7-9-14)11-21-19(29)24-15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,23,28)(H,26,27)(H2,21,24,29)/t16-/m0/s1