(2R)-2-[2-(1-adamantyl)ethanoylamino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

Systemtic Name: (2R)-2-[2-(1-adamantyl)ethanoylamino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide Openeye Name: (2R)-2-[[2-(1-adamantyl)acetyl]amino]-4-methyl-N-thiazol-2-yl-pentanamide CAS Name: (2R)-2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-methyl-N-(2-thiazolyl)pentanamide IUPAC Name: (2R)-2-[[2-(1-adamantyl)acetyl]amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide Traditional Name: (2R)-2-[[2-(1-adamantyl)acetyl]amino]-4-methyl-N-thiazol-2-yl-valeramide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NC=CS1)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C[C@H](C(=O)NC1=NC=CS1)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S/c1-13(2)5-17(19(26)24-20-22-3-4-27-20)23-18(25)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h3-4,13-17H,5-12H2,1-2H3,(H,23,25)(H,22,24,26)/t14?,15?,16?,17-,21?/m1/s1