methyl (2S)-2-azanyl-5-(2H-benzotriazol-5-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-(2H-benzotriazol-5-ylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(2H-benzotriazol-5-ylamino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(2H-benzotriazol-5-ylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(2H-benzotriazol-5-ylamino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-(2H-benzotriazol-5-ylamino)-5-keto-valeric acid methyl ester Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC2=NNN=C2C=C1)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC2=NNN=C2C=C1)N

InChI

InChI=1S/C12H15N5O3/c1-20-12(19)8(13)3-5-11(18)14-7-2-4-9-10(6-7)16-17-15-9/h2,4,6,8H,3,5,13H2,1H3,(H,14,18)(H,15,16,17)/t8-/m0/s1