methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]valeric acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-12(2)9-16(19(25)27-3)24-20(26)22-14-6-7-17-15(10-14)23-18(28-17)13-5-4-8-21-11-13/h4-8,10-12,16H,9H2,1-3H3,(H2,22,24,26)/t16-/m0/s1