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4-(3-methyl-2-phenylazanyl-pentanoyl)thiomorpholine-3-carboxylic acid

4-(3-methyl-2-phenylazanyl-pentanoyl)thiomorpholine-3-carboxylic acid

Systemtic Name:4-(3-methyl-2-phenylazanyl-pentanoyl)thiomorpholine-3-carboxylic acid
Openeye Name:4-(2-anilino-3-methyl-pentanoyl)thiomorpholine-3-carboxylic acid
CAS Name:4-(2-anilino-3-methyl-1-oxopentyl)-3-thiomorpholinecarboxylic acid
IUPAC Name:4-(2-anilino-3-methylpentanoyl)thiomorpholine-3-carboxylic acid
Traditional Name:4-(2-anilino-3-methyl-pentanoyl)thiomorpholine-3-carboxylic acid
Formula: C17H24N2O3S
MolecularWeight: 336.44906
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCSCC1C(=O)O)NC2=CC=CC=C2


Isomeric SMILES

CCC(C)C(C(=O)N1CCSCC1C(=O)O)NC2=CC=CC=C2


InChI

InChI=1S/C17H24N2O3S/c1-3-12(2)15(18-13-7-5-4-6-8-13)16(20)19-9-10-23-11-14(19)17(21)22/h4-8,12,14-15,18H,3,9-11H2,1-2H3,(H,21,22)


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