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

Systemtic Name: (2R)-4-[1,3-bis(oxidanylidene)-5-propoxy-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-(1,3-dioxo-5-propoxy-isoindolin-2-yl)butanoic acid CAS Name: (2R)-4-(1,3-dioxo-5-propoxy-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-(1,3-dioxo-5-propoxyisoindol-2-yl)butanoic acid Traditional Name: (2R)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-4-(1,3-diketo-5-propoxy-isoindolin-2-yl)butyric acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(C(=O)O)NC(CC(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=O)N(C2=O)CC[C@H](C(=O)O)N[C@@H](CC(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O6/c1-4-14-37-20-10-11-21-22(16-20)27(34)31(26(21)33)13-12-23(28(35)36)30-24(15-18(2)3)25(32)29-17-19-8-6-5-7-9-19/h5-11,16,18,23-24,30H,4,12-15,17H2,1-3H3,(H,29,32)(H,35,36)/t23-,24+/m1/s1