(3S)-3-[[3-[3,4-bis(oxidanyl)phenyl]-3-methyl-butyl]amino]-4-[[(2R)-1-methoxy-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[3-[3,4-bis(oxidanyl)phenyl]-3-methyl-butyl]amino]-4-[[(2R)-1-methoxy-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1R)-1-benzyl-2-methoxy-1-methyl-2-oxo-ethyl]amino]-3-[[3-(3,4-dihydroxyphenyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[3-(3,4-dihydroxyphenyl)-3-methylbutyl]amino]-4-[[(2R)-1-methoxy-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[3-(3,4-dihydroxyphenyl)-3-methylbutyl]amino]-4-[[(2R)-1-methoxy-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1R)-1-benzyl-2-keto-2-methoxy-1-methyl-ethyl]amino]-3-[[3-(3,4-dihydroxyphenyl)-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(CC(=O)O)C(=O)NC(C)(CC1=CC=CC=C1)C(=O)OC)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@@](CC1=CC=CC=C1)(C(=O)OC)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C26H34N2O7/c1-25(2,18-10-11-20(29)21(30)14-18)12-13-27-19(15-22(31)32)23(33)28-26(3,24(34)35-4)16-17-8-6-5-7-9-17/h5-11,14,19,27,29-30H,12-13,15-16H2,1-4H3,(H,28,33)(H,31,32)/t19-,26+/m0/s1