2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-2-[(3-methyl-1-oxobutyl)-pentoxyamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy(isovaleryl)amino]-3-methyl-4-(methylthio)butyric acid Formula: C19H39N3O4S2 MolecularWeight: 437.66066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCON(C(=O)CC(C)C)C(C(C)CSC)(C(=O)O)NCC(CS)N

Isomeric SMILES

CCCCCON(C(=O)CC(C)C)C(C(C)CSC)(C(=O)O)NCC(CS)N

InChI

InChI=1S/C19H39N3O4S2/c1-6-7-8-9-26-22(17(23)10-14(2)3)19(18(24)25,15(4)13-28-5)21-11-16(20)12-27/h14-16,21,27H,6-13,20H2,1-5H3,(H,24,25)