| SpectraBase Spectrum ID |
E2r4poM4xOH |
| Name |
(S)-methyl 4-methyl-2-((R)-4-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)pentanamido)pentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39N3O5 |
| InChI |
InChI=1S/C28H39N3O5/c1-17(2)14-22(26(33)30-23(15-18(3)4)28(35)36-5)29-25(32)16-21-19-10-6-7-11-20(19)27(34)31-13-9-8-12-24(21)31/h6-7,10-11,16-18,22-24H,8-9,12-15H2,1-5H3,(H,29,32)(H,30,33)/b21-16-/t22-,23+,24+/m1/s1 |
| InChIKey |
PYZIWNMPIKKLLO-ZGSCAIFFSA-N |
| Literature Reference DOI |
10.1002_1615-4169(200209)344_8_855 |
| Molecular Weight |
497.636 g/mol |
| SMILES |
N(C(\C=C/1[C@@]2(CCCCN2C(=O)c2ccccc12)[H])=O)[C@@](C(N[C@](C(=O)OC)(CC(C)C)[H])=O)(CC(C)C)[H] |
| SPLASH |
splash10-03di-0190000000-6806c4e13ccaf03c3a87 |
| Source of Spectrum |
ASC-344-863-16 |
| Synonyms |
(2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid methyl ester
Methyl (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate
Methyl (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate
Methyl (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxidanylidene-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]ethanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate |
| Wiley ID |
1767322 |
![(S)-methyl 4-methyl-2-((R)-4-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)pentanamido)pentanoate](/api/spectrum/E2r4poM4xOH/structure.png?h=300&w=458 "(S)-methyl 4-methyl-2-((R)-4-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)pentanamido)pentanoate")
