methyl (2S)-2-[[5-[2-(1H-imidazol-5-yl)ethanoylamino]-3-methyl-pentoxy]-(3-methylbutanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-[2-(1H-imidazol-5-yl)ethanoylamino]-3-methyl-pentoxy]-(3-methylbutanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentoxy]-(3-methylbutanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-3-methylpentoxy]-(3-methyl-1-oxobutyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylpentoxy]-(3-methylbutanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentoxy]-isovaleryl-amino]-4-(methylthio)butyric acid methyl ester Formula: C22H38N4O5S MolecularWeight: 470.62592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(C(CCSC)C(=O)OC)OCCC(C)CCNC(=O)CC1=CN=CN1

Isomeric SMILES

CC(C)CC(=O)N([C@@H](CCSC)C(=O)OC)OCCC(C)CCNC(=O)CC1=CN=CN1

InChI

InChI=1S/C22H38N4O5S/c1-16(2)12-21(28)26(19(8-11-32-5)22(29)30-4)31-10-7-17(3)6-9-24-20(27)13-18-14-23-15-25-18/h14-17,19H,6-13H2,1-5H3,(H,23,25)(H,24,27)/t17?,19-/m0/s1