(2S)-1-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(5S)-5-(tert-butoxycarbonylamino)-4-oxo-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxo-6-phenylhexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(5S)-5-(tert-butoxycarbonylamino)-4-keto-6-phenyl-hexanoyl]proline Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C22H30N2O6/c1-22(2,3)30-21(29)23-16(14-15-8-5-4-6-9-15)18(25)11-12-19(26)24-13-7-10-17(24)20(27)28/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)/t16-,17-/m0/s1