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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-4-12(2)17(19(25)27-3)24-20(26)22-14-7-8-16-15(10-14)23-18(28-16)13-6-5-9-21-11-13/h5-12,17H,4H2,1-3H3,(H2,22,24,26)/t12-,17-/m0/s1