3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(2-amino-4-bromo-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[(2-amino-4-bromophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-amino-4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(2-amino-4-bromo-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C14H19BrN2O4S MolecularWeight: 391.28066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)N)C(=O)O

InChI

InChI=1S/C14H19BrN2O4S/c1-14(2,3)21-13(20)17-10(12(18)19)7-22-11-5-4-8(15)6-9(11)16/h4-6,10H,7,16H2,1-3H3,(H,17,20)(H,18,19)