(2R)-4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[(2S)-4-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]butanoic acid

Systemtic Name: (2R)-4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[(2S)-4-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]butanoic acid Openeye Name: (2R)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-4-(5-methoxy-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: (2R)-4-(5-methoxy-1,3-dioxo-2-isoindolyl)-2-[[(2S)-4-methyl-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]amino]butanoic acid IUPAC Name: (2R)-2-[[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-(5-methoxy-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: (2R)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-4-(1,3-diketo-5-methoxy-isoindolin-2-yl)butyric acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=CC=C1)NC(CCN2C(=O)C3=C(C2=O)C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=CC=CC=C1)N[C@H](CCN2C(=O)C3=C(C2=O)C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C26H31N3O6/c1-16(2)13-22(23(30)27-15-17-7-5-4-6-8-17)28-21(26(33)34)11-12-29-24(31)19-10-9-18(35-3)14-20(19)25(29)32/h4-10,14,16,21-22,28H,11-13,15H2,1-3H3,(H,27,30)(H,33,34)/t21-,22+/m1/s1