(4S)-5-methoxy-5-oxidanylidene-4-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanoic acid

Systemtic Name: (4S)-5-methoxy-5-oxidanylidene-4-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanoic acid Openeye Name: (4S)-5-methoxy-5-oxo-4-[[(E)-3-(3-phenoxyphenyl)allyl]amino]pentanoic acid CAS Name: (4S)-5-methoxy-5-oxo-4-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanoic acid IUPAC Name: (4S)-5-methoxy-5-oxo-4-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanoic acid Traditional Name: (4S)-5-keto-5-methoxy-4-[[(E)-3-(3-phenoxyphenyl)allyl]amino]valeric acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)O)NCC=CC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCC(=O)O)NC/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5/c1-26-21(25)19(12-13-20(23)24)22-14-6-8-16-7-5-11-18(15-16)27-17-9-3-2-4-10-17/h2-11,15,19,22H,12-14H2,1H3,(H,23,24)/b8-6+/t19-/m0/s1