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

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]ethyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: 2-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]ethyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid 2-[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid 2-(homovanilloylamino)ethyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-4-11(2)16(18)17(22)24-8-7-19-15(21)10-12-5-6-13(20)14(9-12)23-3/h5-6,9,11,16,20H,4,7-8,10,18H2,1-3H3,(H,19,21)/t11?,16-/m0/s1