2-[2-(4-methoxy-3-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethyl (2S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: 2-[2-(4-methoxy-3-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: 2-[hydroxy-[2-(3-hydroxy-4-methoxy-phenyl)acetyl]amino]ethyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid 2-[hydroxy-[2-(3-hydroxy-4-methoxyphenyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[hydroxy-[2-(3-hydroxy-4-methoxyphenyl)acetyl]amino]ethyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid 2-[hydroxy-[2-(3-hydroxy-4-methoxy-phenyl)acetyl]amino]ethyl ester Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCCN(C(=O)CC1=CC(=C(C=C1)OC)O)O)N

InChI

InChI=1S/C17H26N2O6/c1-4-11(2)16(18)17(22)25-8-7-19(23)15(21)10-12-5-6-14(24-3)13(20)9-12/h5-6,9,11,16,20,23H,4,7-8,10,18H2,1-3H3/t11?,16-/m0/s1