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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-4-11(2)15(16(21)22)17-14(20)9-10-18(3)12-5-7-13(19)8-6-12/h5-8,11,15,19H,4,9-10H2,1-3H3,(H,17,20)(H,21,22)/p-1/t11-,15-/m0/s1