For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(S)-methyl 3-methyl-2-((R)-3-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)butanamido)butanoate

View entire compound with spectra: 1 MS (GC)

(S)-methyl 3-methyl-2-((R)-3-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)butanamido)butanoate
SpectraBase Compound ID 5pl1MZnY3tt
InChI InChI=1S/C26H35N3O5/c1-15(2)22(24(31)28-23(16(3)4)26(33)34-5)27-21(30)14-19-17-10-6-7-11-18(17)25(32)29-13-9-8-12-20(19)29/h6-7,10-11,14-16,20,22-23H,8-9,12-13H2,1-5H3,(H,27,30)(H,28,31)/b19-14-/t20-,22+,23-/m0/s1
InChIKey JBMHNUGQUXAQLO-NAGRXNIQSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H35N3O5
Exact Mass 469.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Et62CMQsEOQ
Name (S)-methyl 3-methyl-2-((R)-3-methyl-2-((Z)-2-((S)-6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetamido)butanamido)butanoate
Alternate Name(s) (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic 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]-3-methylbutanoyl]amino]-3-methylbutanoate Methyl (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Methyl (2S)-2-[[(2R)-2-[[(2Z)-2-[(11aS)-6-oxidanylidene-2,3,4,11a-tetrahydro-1H-benzo[b]quinolizin-11-ylidene]ethanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O5
InChI InChI=1S/C26H35N3O5/c1-15(2)22(24(31)28-23(16(3)4)26(33)34-5)27-21(30)14-19-17-10-6-7-11-18(17)25(32)29-13-9-8-12-20(19)29/h6-7,10-11,14-16,20,22-23H,8-9,12-13H2,1-5H3,(H,27,30)(H,28,31)/b19-14-/t20-,22+,23-/m0/s1
InChIKey JBMHNUGQUXAQLO-NAGRXNIQSA-N
Literature Reference DOI 10.1002_1615-4169(200209)344_8_855
Molecular Weight 469.582 g/mol
SMILES N(C(\C=C/1[C@@]2(CCCCN2C(=O)c2ccccc12)[H])=O)[C@@](C(N[C@](C(=O)OC)(C(C)C)[H])=O)(C(C)C)[H]
SPLASH splash10-03di-0090000000-123e211273bae206b63a
Source of Spectrum ASC-344-864-17
Wiley ID 1767323