(2S)-4-(2-adamantylmethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O

InChI

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