(2S)-2-deuterio-6-[[(4S)-4-deuterio-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (2S)-2-deuterio-6-[[(4S)-4-deuterio-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-[[(4S)-4-(tert-butoxycarbonylamino)-4-deuterio-5-methoxy-5-oxo-pentanoyl]amino]-2-deuterio-hexanoate CAS Name: (2S)-2-deuterio-6-[[(4S)-4-deuterio-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: (2S)-2-deuterio-6-[[(4S)-4-deuterio-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-[[(4S)-4-(tert-butoxycarbonylamino)-4-deuterio-5-keto-5-methoxy-pentanoyl]amino]-2-deuterio-hexanoate Formula: C25H36N3O9- MolecularWeight: 525.573772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NCCCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

[2H][C@](CCCC[15NH]C(=O)CC[C@@]([2H])(C(=O)OC)NC(=O)OC(C)(C)C)(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H37N3O9/c1-25(2,3)37-24(34)28-19(22(32)35-4)13-14-20(29)26-15-9-8-12-18(21(30)31)27-23(33)36-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,8-9,12-16H2,1-4H3,(H,26,29)(H,27,33)(H,28,34)(H,30,31)/p-1/t18-,19-/m0/s1/i18D,19D,26+1