methyl (2S)-5-(1,3-benzodioxol-5-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-5-(1,3-benzodioxol-5-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-5-(1,3-benzodioxol-5-ylamino)-2-(tert-butoxycarbonylamino)-5-oxo-pentanoate CAS Name: (2S)-5-(1,3-benzodioxol-5-ylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(1,3-benzodioxol-5-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-5-(1,3-benzodioxol-5-ylamino)-2-(tert-butoxycarbonylamino)-5-keto-valeric acid methyl ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-18(2,3)27-17(23)20-12(16(22)24-4)6-8-15(21)19-11-5-7-13-14(9-11)26-10-25-13/h5,7,9,12H,6,8,10H2,1-4H3,(H,19,21)(H,20,23)/t12-/m0/s1