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2-[1-(aminomethyl)-4-[3-(3-bromanyl-2-oxidanylidene-propyl)sulfanylpropylamino]cyclohexyl]ethanoic acid

2-[1-(aminomethyl)-4-[3-(3-bromanyl-2-oxidanylidene-propyl)sulfanylpropylamino]cyclohexyl]ethanoic acid

Systemtic Name:2-[1-(aminomethyl)-4-[3-(3-bromanyl-2-oxidanylidene-propyl)sulfanylpropylamino]cyclohexyl]ethanoic acid
Openeye Name:2-[1-(aminomethyl)-4-[3-(3-bromo-2-oxo-propyl)sulfanylpropylamino]cyclohexyl]acetic acid
CAS Name:2-[1-(aminomethyl)-4-[3-[(3-bromo-2-oxopropyl)thio]propylamino]cyclohexyl]acetic acid
IUPAC Name:2-[1-(aminomethyl)-4-[3-(3-bromo-2-oxopropyl)sulfanylpropylamino]cyclohexyl]acetic acid
Traditional Name:2-[1-(aminomethyl)-4-[3-[(3-bromo-2-keto-propyl)thio]propylamino]cyclohexyl]acetic acid
Formula: C15H27BrN2O3S
MolecularWeight: 395.35548
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCCSCC(=O)CBr)(CC(=O)O)CN


Isomeric SMILES

C1CC(CCC1NCCCSCC(=O)CBr)(CC(=O)O)CN


InChI

InChI=1S/C15H27BrN2O3S/c16-9-13(19)10-22-7-1-6-18-12-2-4-15(11-17,5-3-12)8-14(20)21/h12,18H,1-11,17H2,(H,20,21)


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