methyl (3S)-4-(2-adamantylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-(2-adamantylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-(2-adamantylamino)-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(2-adamantylamino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(2-adamantylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-(2-adamantylamino)-3-(tert-butoxycarbonylamino)-4-keto-butyric acid methyl ester Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)NC1C2CC3CC(C2)CC1C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)NC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C20H32N2O5/c1-20(2,3)27-19(25)21-15(10-16(23)26-4)18(24)22-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,5-10H2,1-4H3,(H,21,25)(H,22,24)/t11?,12?,13?,14?,15-,17?/m0/s1