2-azanyl-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)propanoic acid CAS Name: 2-amino-3-[2-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[2-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)propionic acid Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)CC(C(=O)O)N

InChI

InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-12-7-5-4-6-9(12)10(13(19)17)8-11(18)14(20)21/h4-7,11H,8,18H2,1-3H3,(H,20,21)