(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-4-(methylthio)butyric acid Formula: C22H37N3O4S MolecularWeight: 439.61188

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H37N3O4S/c1-30-8-6-18(20(27)28)24-19(26)5-3-2-4-7-23-21(29)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18H,2-14H2,1H3,(H,24,26)(H,27,28)(H2,23,25,29)/t15?,16?,17?,18-,22?/m0/s1