methyl (3S)-4-(2-azanyl-3-methanoyl-phenyl)-3-(3,3-dimethylbutylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-(2-azanyl-3-methanoyl-phenyl)-3-(3,3-dimethylbutylamino)-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-(2-amino-3-formyl-phenyl)-3-(3,3-dimethylbutylamino)-4-oxo-butanoate CAS Name: (3S)-4-(2-amino-3-formylphenyl)-3-(3,3-dimethylbutylamino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(2-amino-3-formylphenyl)-3-(3,3-dimethylbutylamino)-4-oxobutanoate Traditional Name: (3S)-4-(2-amino-3-formyl-phenyl)-3-(3,3-dimethylbutylamino)-4-keto-butyric acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(CC(=O)OC)C(=O)C1=CC=CC(=C1N)C=O

Isomeric SMILES

CC(C)(C)CCN[C@@H](CC(=O)OC)C(=O)C1=CC=CC(=C1N)C=O

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)8-9-20-14(10-15(22)24-4)17(23)13-7-5-6-12(11-21)16(13)19/h5-7,11,14,20H,8-10,19H2,1-4H3/t14-/m0/s1