(3R)-4-azanyl-4-oxidanylidene-3-[[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]carbamoylamino]butanoic acid

Systemtic Name: (3R)-4-azanyl-4-oxidanylidene-3-[[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]carbamoylamino]butanoic acid Openeye Name: (3R)-4-amino-4-oxo-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]carbamoylamino]butanoic acid CAS Name: (3R)-4-amino-4-oxo-3-[[oxo-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]hydrazo]methyl]amino]butanoic acid IUPAC Name: (3R)-4-amino-4-oxo-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]carbamoylamino]butanoic acid Traditional Name: (3R)-4-amino-4-keto-3-[[[3-(2-pyrimidylamino)benzoyl]amino]carbamoylamino]butyric acid Formula: C16H17N7O5 MolecularWeight: 387.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NNC(=O)NC(CC(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NNC(=O)N[C@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C16H17N7O5/c17-13(26)11(8-12(24)25)21-16(28)23-22-14(27)9-3-1-4-10(7-9)20-15-18-5-2-6-19-15/h1-7,11H,8H2,(H2,17,26)(H,22,27)(H,24,25)(H,18,19,20)(H2,21,23,28)/t11-/m1/s1