(2R,5S)-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2-(phenylmethyl)heptanoic acid

Systemtic Name: (2R,5S)-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2-(phenylmethyl)heptanoic acid Openeye Name: (2R,5S)-2-benzyl-5-(tert-butoxycarbonylamino)-6,6-dimethyl-4-oxo-heptanoic acid CAS Name: (2R,5S)-6,6-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2-(phenylmethyl)heptanoic acid IUPAC Name: (2R,5S)-2-benzyl-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanoic acid Traditional Name: (2R,5S)-2-benzyl-5-(tert-butoxycarbonylamino)-4-keto-6,6-dimethyl-enanthic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)CC(CC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)C[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO5/c1-20(2,3)17(22-19(26)27-21(4,5)6)16(23)13-15(18(24)25)12-14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3,(H,22,26)(H,24,25)/t15-,17-/m1/s1