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15-[(1-Carboxy-2-phenylethyl)amino]retinal
SpectraBase Compound ID 16n0kXMyBFM
InChI InChI=1S/C29H37NO3/c1-21(16-17-25-23(3)13-10-18-29(25,4)5)11-9-12-22(2)19-27(31)30-26(28(32)33)20-24-14-7-6-8-15-24/h6-9,11-12,14-17,19,26H,10,13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b12-9+,17-16+,21-11+,22-19+
InChIKey KQFROUCLXDASFA-SLZPJANQSA-N
Mol Weight 447.6 g/mol
Molecular Formula C29H37NO3
Exact Mass 447.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 808l4FGNBai
Name 15-[(1-Carboxy-2-phenylethyl)amino]retinal
CAS Registry Number 97885-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37NO3
InChI InChI=1S/C29H37NO3/c1-21(16-17-25-23(3)13-10-18-29(25,4)5)11-9-12-22(2)19-27(31)30-26(28(32)33)20-24-14-7-6-8-15-24/h6-9,11-12,14-17,19,26H,10,13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b12-9+,17-16+,21-11+,22-19+
InChIKey KQFROUCLXDASFA-SLZPJANQSA-N
Molecular Weight 447.619 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(C)CCCC1(C)C)C)C)=O)C(C(O)=O)Cc1ccccc1
SPLASH splash10-06dj-1920000000-b01fe4c7c8a4c9b4d73b
Source of Spectrum W5-1989-36205-29331
Synonyms 2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-3-phenylpropanoic acid 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propanoic acid 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propionic acid L-phenylalanine, N-(3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl)-, (all-E)- N-Retinoyl DL-phenylalanine (all-trans) N-Retinoyl-dl-phenylalanine N-retinoyl-phe N-retinoylphenylalanine
Wiley ID 1386990