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

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-2-[4-methylpentanoyl(pentoxy)amino]-4-oxidanyl-butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-4-hydroxy-3-methyl-2-[4-methylpentanoyl(pentoxy)amino]butanoic acid CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-4-hydroxy-3-methyl-2-[(4-methyl-1-oxopentyl)-pentoxyamino]butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-4-hydroxy-3-methyl-2-[4-methylpentanoyl(pentoxy)amino]butanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy(4-methylpentanoyl)amino]-4-hydroxy-3-methyl-butyric acid Formula: C19H39N3O5S MolecularWeight: 421.59506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H39N3O5S/c1-5-6-7-10-27-22(17(24)9-8-14(2)3)19(18(25)26,15(4)12-23)21-11-16(20)13-28/h14-16,21,23,28H,5-13,20H2,1-4H3,(H,25,26)