2-[[2-[3-(1-benzothiophen-3-yl)propanoylamino]-3-methyl-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[3-(1-benzothiophen-3-yl)propanoylamino]-3-methyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[3-(benzothiophen-3-yl)propanoylamino]-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[3-(1-benzothiophen-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[3-(1-benzothiophen-3-yl)propanoylamino]-3-methylbutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[3-(benzothiophen-3-yl)propanoylamino]-3-methyl-butanoyl]amino]succinic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCC1=CSC2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCC1=CSC2=CC=CC=C21

InChI

InChI=1S/C20H24N2O6S/c1-11(2)18(19(26)21-14(20(27)28)9-17(24)25)22-16(23)8-7-12-10-29-15-6-4-3-5-13(12)15/h3-6,10-11,14,18H,7-9H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)