(2R)-2-[2-(5-bromanylindol-1-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(5-bromanylindol-1-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(5-bromoindol-1-yl)acetyl]amino]propanoate CAS Name: (2R)-2-[[2-(5-bromo-1-indolyl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(5-bromoindol-1-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]propionate Formula: C20H18BrN2O3S- MolecularWeight: 446.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)CN2C=CC3=C2C=CC(=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])NC(=O)CN2C=CC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H19BrN2O3S/c21-16-6-7-18-15(10-16)8-9-23(18)11-19(24)22-17(20(25)26)13-27-12-14-4-2-1-3-5-14/h1-10,17H,11-13H2,(H,22,24)(H,25,26)/p-1/t17-/m0/s1