methyl (2S,3S)-2-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O5/c1-4-13(2)19(21(26)27-3)23-20(25)17-10-15(29-24-17)12-28-18-7-5-6-14-11-22-9-8-16(14)18/h5-11,13,19H,4,12H2,1-3H3,(H,23,25)/t13-,19-/m0/s1