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2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoic acid

2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name:2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoic acid
Openeye Name:2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoic acid
CAS Name:2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]-3-mercaptopropanoic acid
IUPAC Name:2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanylpropanoic acid
Traditional Name:2-[4-(1H-indol-3-yl)butanoylamino]-3-mercapto-propionic acid
Formula: C15H18N2O3S
MolecularWeight: 306.38002
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CS)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CS)C(=O)O


InChI

InChI=1S/C15H18N2O3S/c18-14(17-13(9-21)15(19)20)7-3-4-10-8-16-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,16,21H,3-4,7,9H2,(H,17,18)(H,19,20)


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