methyl (2R,3S)-2-[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(O1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NN=C(O1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O4S/c1-4-12(2)17(18(26)27-3)22-16(25)11-29-20-24-23-19(28-20)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15,17H,4-11H2,1-3H3,(H,22,25)/t12-,13?,14?,15?,17+,21?/m0/s1