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Tryptophan, N-acetyl-, 4-nitrophenyl ester

HCID 99934
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Basic information

CAS
1990-34-7
Standard SMILES
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
QCLCPFXPLVJTLB-UHFFFAOYSA-N
Molecular formula
C19H17N3O5
Average molar mass
367.4 g/mol
Monoisotopic mass
367.11682065

Names & identifiers

Preferred name
Tryptophan, N-acetyl-, 4-nitrophenyl ester
IUPAC
(4-nitrophenyl) 2-acetamido-3-(1H-indol-3-yl)propanoate

Names & synonyms

Tryptophan, N-acetyl-, 4-nitrophenyl ester1990-34-7NSC 270076DTXSID20883534Tryptophan, N-acetyl-, p-nitrophenyl ester, DL-RefChem:900689DTXCID501023058Tryptophan, N-acetyl-, p-nitrophenyl ester, DL-(8CI)(4-nitrophenyl) 2-acetamido-3-(1H-indol-3-yl)propanoateNSC270076L-Tryptophan, N-acetyl-, 4-nitrophenyl esterQCLCPFXPLVJTLB-UHFFFAOYSA-N
Show more names
4-Nitrophenyl N-acetyltryptophanateTryptophan, p-nitrophenyl ester, DL-AKOS030241491NSC-270076p-nitrophenyl N-acetyl-dl-tryptophanateN-alpha-Acetyl-L-tryptophan 4-nitrophenyl ester

Database identifiers

CAS
1990-34-7
PubChem CID
99934
DTXSID
DTXSID20883534

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
556

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationTryptophan, N-acetyl-, 4-nitrophenyl ester: INACTIVE

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Compound notes

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