3-(3,3-dimethylbutylamino)-4-[3,3-dimethylbutyl-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-[3,3-dimethylbutyl-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)-(3,3-dimethylbutyl)amino]-3-(3,3-dimethylbutylamino)-4-oxo-butanoic acid CAS Name: 3-(3,3-dimethylbutylamino)-4-[3,3-dimethylbutyl-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-(3,3-dimethylbutylamino)-4-[3,3-dimethylbutyl-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)-(3,3-dimethylbutyl)amino]-3-(3,3-dimethylbutylamino)-4-keto-butyric acid Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(CC(=O)O)C(=O)N(CCC(C)(C)C)C(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)CCNC(CC(=O)O)C(=O)N(CCC(C)(C)C)C(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C26H42N2O5/c1-25(2,3)13-15-27-20(18-22(29)30)23(31)28(16-14-26(4,5)6)21(24(32)33-7)17-19-11-9-8-10-12-19/h8-12,20-21,27H,13-18H2,1-7H3,(H,29,30)