(2S)-2-[3-[(4-hydroxyphenyl)-methyl-amino]propanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[3-[(4-hydroxyphenyl)-methyl-amino]propanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[3-(4-hydroxy-N-methyl-anilino)propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-(4-hydroxy-N-methylanilino)-1-oxopropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[3-(4-hydroxy-N-methylanilino)propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(4-hydroxy-N-methyl-anilino)propanoylamino]-4-methyl-valerate Formula: C16H23N2O4- MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CCN(C)C1=CC=C(C=C1)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CCN(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C16H24N2O4/c1-11(2)10-14(16(21)22)17-15(20)8-9-18(3)12-4-6-13(19)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3,(H,17,20)(H,21,22)/p-1/t14-/m0/s1