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

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid hydrate Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-(3,3-dimethylbutylamino)-4-oxo-butanoic acid hydrate CAS Name: 3-(3,3-dimethylbutylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid hydrate IUPAC Name: 3-(3,3-dimethylbutylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid hydrate Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-3-(3,3-dimethylbutylamino)-4-keto-butyric acid hydrate Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5.H2O/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14;/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24);1H2