methyl 2-[[(E)-5-azanyl-6-methyl-oct-3-enoyl]-butyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[(E)-5-azanyl-6-methyl-oct-3-enoyl]-butyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[(E)-5-amino-6-methyl-oct-3-enoyl]-butyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(E)-5-amino-6-methyl-1-oxooct-3-enyl]-butylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-5-amino-6-methyloct-3-enoyl]-butylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(E)-5-amino-6-methyl-oct-3-enoyl]-butyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C19H36N2O3S MolecularWeight: 372.56574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CCSC)C(=O)OC)C(=O)CC=CC(C(C)CC)N

Isomeric SMILES

CCCCN(C(CCSC)C(=O)OC)C(=O)C/C=C/C(C(C)CC)N

InChI

InChI=1S/C19H36N2O3S/c1-6-8-13-21(17(12-14-25-5)19(23)24-4)18(22)11-9-10-16(20)15(3)7-2/h9-10,15-17H,6-8,11-14,20H2,1-5H3/b10-9+