Tryptophan, N-acetyl-, 4-nitrophenyl ester
PubChem CID
99934
Structure
Molecular Formula
Synonyms
- Tryptophan, N-acetyl-, 4-nitrophenyl ester
- 14009-92-8
- 1990-34-7
- L-Tryptophan, N-acetyl-, 4-nitrophenyl ester
- Ac-L-Trp-ONp
Molecular Weight
367.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Ac-DL-Trp-OPh(4-NO2)
Sequence
W
IUPAC
N-acetyl-DL-tryptophan 4-nitrophenyl ester
(4-nitrophenyl) 2-acetamido-3-(1H-indol-3-yl)propanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C19H17N3O5/c1-12(23)21-18(10-13-11-20-17-5-3-2-4-16(13)17)19(24)27-15-8-6-14(7-9-15)22(25)26/h2-9,11,18,20H,10H2,1H3,(H,21,23)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QCLCPFXPLVJTLB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H17N3O5
Computed by PubChem 2.2 (PubChem release 2021.10.14)
94424-68-7
- Tryptophan, N-acetyl-, 4-nitrophenyl ester
- 14009-92-8
- 1990-34-7
- L-Tryptophan, N-acetyl-, 4-nitrophenyl ester
- Ac-L-Trp-ONp
- Nalpha-Acetyl-L-tryptophan 4-nitrophenyl ester
- NSC270076
- NSC 270076
- (4-nitrophenyl) 2-acetamido-3-(1H-indol-3-yl)propanoate
- Tryptophan, N-acetyl-, p-nitrophenyl ester, DL-
- DTXSID20883534
- QCLCPFXPLVJTLB-UHFFFAOYSA-N
- Tryptophan, p-nitrophenyl ester, DL-
- AKOS030241491
- NSC-270076
- p-nitrophenyl N-acetyl-dl-tryptophanate
- N-alpha-Acetyl-L-tryptophan 4-nitrophenyl ester
- 4-NITROPHENYL 2-ACETAMIDO-3-(1H-INDOL-3-YL)PROPANOATE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
367.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
367.11682065 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
367.11682065 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
117 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
556
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
EPA TSCA Commercial Activity Status
Tryptophan, N-acetyl-, 4-nitrophenyl ester: INACTIVE
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/N-Acetyltryptophan 4-nitrophenyl esterhttps://commonchemistry.cas.org/detail?cas_rn=1990-34-7
- ChemIDplusTryptophan, N-acetyl-, 4-nitrophenyl esterhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0001990347ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA Chemicals under the TSCATryptophan, N-acetyl-, 4-nitrophenyl esterhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxTryptophan, N-acetyl-, 4-nitrophenyl esterhttps://comptox.epa.gov/dashboard/DTXSID20883534CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Springer Nature
- WikidataTryptophan, N-acetyl-, 4-nitrophenyl esterhttps://www.wikidata.org/wiki/Q82862462
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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