methyl 2-[(2-azanyl-3-sulfanyl-propyl)amino]-2-[butyl-[(E)-6-methyloct-3-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-azanyl-3-sulfanyl-propyl)amino]-2-[butyl-[(E)-6-methyloct-3-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-amino-3-sulfanyl-propyl)amino]-2-[butyl-[(E)-6-methyloct-3-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-2-[butyl-[(E)-6-methyl-1-oxooct-3-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-sulfanylpropyl)amino]-2-[butyl-[(E)-6-methyloct-3-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[butyl-[(E)-6-methyloct-3-enoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H43N3O3S2 MolecularWeight: 461.72512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)CC=CCC(C)CC)C(CCSC)(C(=O)OC)NCC(CS)N

Isomeric SMILES

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

InChI

InChI=1S/C22H43N3O3S2/c1-6-8-14-25(20(26)12-10-9-11-18(3)7-2)22(13-15-30-5,21(27)28-4)24-16-19(23)17-29/h9-10,18-19,24,29H,6-8,11-17,23H2,1-5H3/b10-9+