| SpectraBase Spectrum ID |
YjbwfkhI1S |
| Name |
N-Cyclohexyl 4-(4-Methoxybenzyl)-2-(4-fluorophenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H39FN4O5 |
| InChI |
InChI=1S/C31H39FN4O5/c1-31(2,3)41-30(39)35-25-18-33-26(21-12-14-22(32)15-13-21)27(28(37)34-23-8-6-5-7-9-23)36(29(25)38)19-20-10-16-24(40-4)17-11-20/h10-17,23,25,33H,5-9,18-19H2,1-4H3,(H,34,37)(H,35,39)/t25-/m0/s1 |
| InChIKey |
CSQMDXKTSFDSMF-VWLOTQADSA-N |
| Molecular Weight |
566.674 g/mol |
| SMILES |
N(C(OC(C)(C)C)=O)[C@@]1(C(N(C(=C(NC1)c1ccc(cc1)F)C(NC1CCCCC1)=O)Cc1ccc(cc1)OC)=O)[H] |
| SPLASH |
splash10-00dr-0905010000-fb12062fe5b2716b2418 |
| Source of Spectrum |
F-66-6786-6e |
| Synonyms |
N-[(6S)-3-[(cyclohexylamino)-oxomethyl]-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-6,7-dihydro-1H-1,4-diazepin-6-yl]carbamic acid tert-butyl ester
tert-Butyl N-[(6S)-3-(cyclohexylcarbamoyl)-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-6,7-dihydro-1H-1,4-diazepin-6-yl]carbamate
tert-Butyl N-[(6S)-3-(cyclohexylcarbamoyl)-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxidanylidene-6,7-dihydro-1H-1,4-diazepin-6-yl]carbamate |
| Wiley ID |
1684239 |
