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

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]-4-oxidanyl-butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-4-hydroxy-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]butanoic acid CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-4-hydroxy-3-methyl-2-[(3-methyl-1-oxobutyl)-pentoxyamino]butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-4-hydroxy-3-methyl-2-[3-methylbutanoyl(pentoxy)amino]butanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy(isovaleryl)amino]-4-hydroxy-3-methyl-butyric acid Formula: C18H37N3O5S MolecularWeight: 407.56848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H37N3O5S/c1-5-6-7-8-26-21(16(23)9-13(2)3)18(17(24)25,14(4)11-22)20-10-15(19)12-27/h13-15,20,22,27H,5-12,19H2,1-4H3,(H,24,25)