2-(1-adamantylcarbamoylamino)-3-(1-benzothiophen-3-yl)propanoic acid

Systemtic Name: 2-(1-adamantylcarbamoylamino)-3-(1-benzothiophen-3-yl)propanoic acid Openeye Name: 2-(1-adamantylcarbamoylamino)-3-(benzothiophen-3-yl)propanoic acid CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-3-(1-benzothiophen-3-yl)propanoic acid IUPAC Name: 2-(1-adamantylcarbamoylamino)-3-(1-benzothiophen-3-yl)propanoic acid Traditional Name: 2-(1-adamantylcarbamoylamino)-3-(benzothiophen-3-yl)propionic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C22H26N2O3S/c25-20(26)18(8-16-12-28-19-4-2-1-3-17(16)19)23-21(27)24-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,18H,5-11H2,(H,25,26)(H2,23,24,27)