methyl 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-thiophen-2-yl-propanoate bromide

Systemtic Name: methyl 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-thiophen-2-yl-propanoate bromide Openeye Name: methyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-thienyl)propanoate bromide CAS Name: 2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester bromide IUPAC Name: methyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-thiophen-2-ylpropanoate bromide Traditional Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-thienyl)propionic acid methyl ester bromide Formula: C19H21BrN3O3S- MolecularWeight: 451.35734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CS1)NC(=O)C(CC2=CNC3=CC=CC=C32)N.[Br-]

Isomeric SMILES

COC(=O)C(CC1=CC=CS1)NC(=O)C(CC2=CNC3=CC=CC=C32)N.[Br-]

InChI

InChI=1S/C19H21N3O3S.BrH/c1-25-19(24)17(10-13-5-4-8-26-13)22-18(23)15(20)9-12-11-21-16-7-3-2-6-14(12)16;/h2-8,11,15,17,21H,9-10,20H2,1H3,(H,22,23);1H/p-1