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(2R)-2-azanyl-3-(4-pyren-1-ylbutylsulfanyl)propanoic acid

(2R)-2-azanyl-3-(4-pyren-1-ylbutylsulfanyl)propanoic acid

Systemtic Name:(2R)-2-azanyl-3-(4-pyren-1-ylbutylsulfanyl)propanoic acid
Openeye Name:(2R)-2-amino-3-(4-pyren-1-ylbutylsulfanyl)propanoic acid
CAS Name:(2R)-2-amino-3-[4-(1-pyrenyl)butylthio]propanoic acid
IUPAC Name:(2R)-2-amino-3-(4-pyren-1-ylbutylsulfanyl)propanoic acid
Traditional Name:(2R)-2-amino-3-(4-pyren-1-ylbutylthio)propionic acid
Formula: C23H23NO2S
MolecularWeight: 377.49922
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCSCC(C(=O)O)N


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCSC[C@@H](C(=O)O)N


InChI

InChI=1S/C23H23NO2S/c24-20(23(25)26)14-27-13-2-1-4-15-7-8-18-10-9-16-5-3-6-17-11-12-19(15)22(18)21(16)17/h3,5-12,20H,1-2,4,13-14,24H2,(H,25,26)/t20-/m0/s1


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