methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4O4/c1-26-18(25)15(11-23)19-17(24)13-8-6-12(7-9-13)10-22-16-5-3-2-4-14(16)20-21-22/h2-9,15,23H,10-11H2,1H3,(H,19,24)/t15-/m0/s1