methyl (2S)-6-azanyl-2-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methyl-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]hexanoic acid methyl ester Formula: C20H33N2O7P MolecularWeight: 444.458981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)NC(CCCCN)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)N[C@@H](CCCCN)C(=O)OC)C

InChI

InChI=1S/C20H33N2O7P/c1-13-10-14(2)18(16(11-13)29-30(25,26)27)20(3,4)12-17(23)22-15(19(24)28-5)8-6-7-9-21/h10-11,15H,6-9,12,21H2,1-5H3,(H,22,23)(H2,25,26,27)/t15-/m0/s1