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L-Tryptophan, N-[3-[5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-1H-pyrrol-3-yl]-1-oxopropyl]-, ethyl ester, (Z)-
SpectraBase Compound ID L5GukwEhZX4
InChI InChI=1S/C30H34N4O5/c1-5-20-18(4)29(37)34-25(20)14-24-17(3)21(27(16-35)32-24)11-12-28(36)33-26(30(38)39-6-2)13-19-15-31-23-10-8-7-9-22(19)23/h7-10,14-16,26,31-32H,5-6,11-13H2,1-4H3,(H,33,36)(H,34,37)/b25-14-/t26-/m0/s1
InChIKey VNEXKDFXEWWDIL-NTZQMJGNSA-N
Mol Weight 530.6 g/mol
Molecular Formula C30H34N4O5
Exact Mass 530.25292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 685pjcQfAG0
Name L-Tryptophan, N-[3-[5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-1H-pyrrol-3-yl]-1-oxopropyl]-, ethyl ester, (Z)-
CAS Registry Number 129112-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N4O5
InChI InChI=1S/C30H34N4O5/c1-5-20-18(4)29(37)34-25(20)14-24-17(3)21(27(16-35)32-24)11-12-28(36)33-26(30(38)39-6-2)13-19-15-31-23-10-8-7-9-22(19)23/h7-10,14-16,26,31-32H,5-6,11-13H2,1-4H3,(H,33,36)(H,34,37)/b25-14-/t26-/m0/s1
InChIKey VNEXKDFXEWWDIL-NTZQMJGNSA-N
Molecular Weight 530.625 g/mol
SMILES N1C(C(=C(\C1=C/c1c(c(CCC(N[C@@](Cc2c[nH]c3c2cccc3)(C(=O)OCC)[H])=O)c([nH]1)C=O)C)CC)C)=O
SPLASH splash10-001i-2900000000-af6c4c65a1ab09d7d00b
Source of Spectrum AH-121-218-14
Synonyms 2,7-Dimethyl-3-ethyl-9-formyldipyrrin-1-one-8-[N-(S)-tryptophan-ethylester]propionamide Ethyl (2S)-2-[(3-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-1H-pyrrol-3-yl}propanoyl)amino]-3-(1H-indol-3-yl)propanoate
Wiley ID 1403344