3-(5-bromanyl-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid; N-cyclohexylcyclohexanamine

Systemtic Name: 3-(5-bromanyl-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid; N-cyclohexylcyclohexanamine Openeye Name: 3-(5-bromo-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid; N-cyclohexylcyclohexanamine CAS Name: 3-(5-bromo-1H-indol-3-yl)-2-[(3-mercapto-1-oxopropyl)amino]propanoic acid; N-cyclohexylcyclohexanamine IUPAC Name: 3-(5-bromo-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid; N-cyclohexylcyclohexanamine Traditional Name: 3-(5-bromo-1H-indol-3-yl)-2-(3-mercaptopropanoylamino)propionic acid; dicyclohexylamine Formula: C26H38BrN3O3S MolecularWeight: 552.56722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)NC(=O)CCS

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C14H15BrN2O3S.C12H23N/c15-9-1-2-11-10(6-9)8(7-16-11)5-12(14(19)20)17-13(18)3-4-21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-2,6-7,12,16,21H,3-5H2,(H,17,18)(H,19,20);11-13H,1-10H2