| SpectraBase Spectrum ID |
EJzZA9J1xWA |
| Name |
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-iodanyl-benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H29IN2O6 |
| InChI |
InChI=1S/C29H29IN2O6/c1-29(2,3)38-16-25(26(33)31-24-13-12-17(27(34)35)14-23(24)30)32-28(36)37-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,22,25H,15-16H2,1-3H3,(H,31,33)(H,32,36)(H,34,35)/t25-/m0/s1 |
| InChIKey |
VABSNGULDOVANZ-VWLOTQADSA-N |
| Molecular Weight |
628.463 g/mol |
| SMILES |
N([C@](C(Nc1ccc(C(=O)O)cc1I)=O)(COC(C)(C)C)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O |
| SPLASH |
splash10-004i-0900001000-fcbed3ac1047c6dc14be |
| Source of Spectrum |
F-68-1849-8 |
| Synonyms |
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-iodobenzoic acid
4-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]-3-iodobenzoic acid |
| Wiley ID |
1571968 |
![4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-iodanyl-benzoic acid](/api/spectrum/EJzZA9J1xWA/structure.png?h=300&w=458 "4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-iodanyl-benzoic acid")
