[1-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [1-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [1-[[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [1-[[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxopentyl]amino]-3-methylpentyl] ester IUPAC Name: [1-[[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentanoyl]amino]-3-methylpentyl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [1-[[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] ester Formula: C20H42N4O3S2 MolecularWeight: 450.70248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N4O3S2/c1-6-13(3)10-17(27-20(26)16(22)8-9-29-5)24-19(25)18(14(4)7-2)23-11-15(21)12-28/h13-18,23,28H,6-12,21-22H2,1-5H3,(H,24,25)