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

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-valeric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H23N3O4/c1-13(2)11-17(20(25)27-3)24-21(26)22-15-8-6-7-14(12-15)19-23-16-9-4-5-10-18(16)28-19/h4-10,12-13,17H,11H2,1-3H3,(H2,22,24,26)/t17-/m0/s1