| SpectraBase Spectrum ID |
9XN9HxeU67w |
| Name |
(S)-methyl 2-((S)-2-((Z)-2-((S)-3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4(1H)-ylidene)acetamido)-4-methylpentanamido)-4-methylpentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H39N3O5 |
| InChI |
InChI=1S/C27H39N3O5/c1-15(2)12-21(26(33)29-22(13-16(3)4)27(34)35-7)28-23(31)14-20-18-10-8-9-11-19(18)25(32)30-24(20)17(5)6/h8-11,14-17,21-22,24H,12-13H2,1-7H3,(H,28,31)(H,29,33)(H,30,32)/b20-14-/t21-,22-,24-/m0/s1 |
| InChIKey |
IESBWBNVZVDPQP-YMRRTOGLSA-N |
| Literature Reference DOI |
10.1002_1615-4169(200209)344_8_855 |
| Molecular Weight |
485.625 g/mol |
| SMILES |
N([C@](C(N[C@](C(=O)OC)(CC(C)C)[H])=O)(CC(C)C)[H])C(\C=C\1c2ccccc2C(=O)N[C@]1(C(C)C)[H])=O |
| SPLASH |
splash10-004i-0290100000-d428bc040bdb686cf6c4 |
| Source of Spectrum |
ASC-344-861-9 |
| Synonyms |
(2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-[[(2Z)-1-oxo-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethyl]amino]pentyl]amino]pentanoic acid methyl ester
Methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetyl]amino]pentanoyl]amino]pentanoate
Methyl (2S)-2-[[(2S)-2-[[(2Z)-2-[(3S)-3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate
Methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2Z)-2-[(3S)-1-oxidanylidene-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethanoyl]amino]pentanoyl]amino]pentanoate |
| Wiley ID |
1767327 |
