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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-4-13(2)18(20(25)27-3)24-21(26)22-15-9-7-8-14(12-15)19-23-16-10-5-6-11-17(16)28-19/h5-13,18H,4H2,1-3H3,(H2,22,24,26)/t13-,18-/m0/s1