2-adamantyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoate

Systemtic Name: 2-adamantyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoate Openeye Name: 2-adamantyl (4S)-5-[(2-benzyloxy-2-oxo-ethyl)amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-[(2-oxo-2-phenylmethoxyethyl)amino]pentanoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(2-oxo-2-phenylmethoxyethyl)amino]pentanoate Traditional Name: (4S)-5-[(2-benzoxy-2-keto-ethyl)amino]-4-(tert-butoxycarbonylamino)-5-keto-valeric acid 2-adamantyl ester Formula: C29H40N2O7 MolecularWeight: 528.6371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H40N2O7/c1-29(2,3)38-28(35)31-23(27(34)30-16-25(33)36-17-18-7-5-4-6-8-18)9-10-24(32)37-26-21-12-19-11-20(14-21)15-22(26)13-19/h4-8,19-23,26H,9-17H2,1-3H3,(H,30,34)(H,31,35)/t19?,20?,21?,22?,23-,26?/m0/s1