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DL-Tryptophan

CAS: 54-12-6
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54-12-6

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1 DL-Tryptophan
2 2-amino-3-(1H-indol-3-yl)propanoic acid
3 Racemic Tryptophan
4 DL-Trytophane
5 DL-Trytophan

Tryptophan is an alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid, an aminoalkylindole, a polar amino acid and an aromatic amino acid. It contains a 1H-indol-3-ylmethyl group. It is a conjugate base of a tryptophanium. It is a conjugate acid of a tryptophanate. It is a tautomer of a tryptophan zwitterion.

Molecular Formula C11H12N2O2
Canonical SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Molecular Weight 204.2200
InChIKey QIVBCDIJIAJPQS-UHFFFAOYSA-N
InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
XLogP -1.1000
ExactMass 204.0899
MonoisotopicMass 204.0899
TPSA 79.1000
Complexity 245.0000
Charge 0.0000
HBondDonorCount 3
HBondAcceptorCount 3
RotatableBondCount 3
HeavyAtomCount 15
IsotopeAtomCount 0
AtomStereoCount 1
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 1
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 321194
PatentFamilyCount 97925
LiteratureCount 785