(2S,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-3-methyl-valerate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C=CC1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-4-11(2)15(16(19)20)17-14(18)10-7-12-5-8-13(21-3)9-6-12/h5-11,15H,4H2,1-3H3,(H,17,18)(H,19,20)/p-1/b10-7+/t11-,15-/m0/s1