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(S)-methyl 4-methyl-2-((S)-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

View entire compound with spectra: 1 MS (GC)

(S)-methyl 4-methyl-2-((S)-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
SpectraBase Compound ID 8hWvNBA2Sd7
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-/m0/s1
InChIKey PYZIWNMPIKKLLO-NLJQTTEQSA-N
Mol Weight 497.6 g/mol
Molecular Formula C28H39N3O5
Exact Mass 497.288971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qMbpc1TCnG
Name (S)-methyl 4-methyl-2-((S)-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
Alternate Name(s) (2S)-2-[[(2S)-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-[[(2S)-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-[[(2S)-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-[[(2S)-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
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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-/m0/s1
InChIKey PYZIWNMPIKKLLO-NLJQTTEQSA-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-0190100000-200bb07fbc8d64ef28d3
Source of Spectrum ASC-344-863-15
Wiley ID 1767321