[3-[[2-azanyl-4-oxidanylidene-4-(pyridin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl] N-azanylcarbamate

Systemtic Name: [3-[[2-azanyl-4-oxidanylidene-4-(pyridin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl] N-azanylcarbamate Openeye Name: [3-[[2-amino-4-oxo-4-(pyridine-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl] N-aminocarbamate CAS Name: N-aminocarbamic acid [3-[[2-amino-1,4-dioxo-4-[[oxo(2-pyridinyl)methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl] ester IUPAC Name: [3-[[2-amino-4-oxo-4-(pyridine-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl] N-aminocarbamate Traditional Name: N-aminocarbamic acid [3-[(2-amino-4-keto-4-picolinamido-butanoyl)amino]-2-hydroxy-4-phenyl-butyl] ester Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(COC(=O)NN)O)NC(=O)C(CC(=O)NC(=O)C2=CC=CC=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(COC(=O)NN)O)NC(=O)C(CC(=O)NC(=O)C2=CC=CC=N2)N

InChI

InChI=1S/C21H26N6O6/c22-14(11-18(29)26-20(31)15-8-4-5-9-24-15)19(30)25-16(10-13-6-2-1-3-7-13)17(28)12-33-21(32)27-23/h1-9,14,16-17,28H,10-12,22-23H2,(H,25,30)(H,27,32)(H,26,29,31)