methyl (2S)-2-azanyl-5-(1,3-benzodioxol-5-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-(1,3-benzodioxol-5-ylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(1,3-benzodioxol-5-ylamino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-(1,3-benzodioxol-5-ylamino)-5-keto-valeric acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C13H16N2O5/c1-18-13(17)9(14)3-5-12(16)15-8-2-4-10-11(6-8)20-7-19-10/h2,4,6,9H,3,5,7,14H2,1H3,(H,15,16)/t9-/m0/s1