4-azanyl-5-methyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]-3-oxidanylidene-heptanoic acid

Systemtic Name: 4-azanyl-5-methyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]-3-oxidanylidene-heptanoic acid Openeye Name: 4-amino-5-methyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]-3-oxo-heptanoic acid CAS Name: 4-amino-2-[[2-(3-mercaptopropylamino)-3-methyl-1-oxobutyl]amino]-5-methyl-2-[2-(methylthio)ethyl]-3-oxoheptanoic acid IUPAC Name: 4-amino-5-methyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]-3-oxoheptanoic acid Traditional Name: 4-amino-3-keto-2-[[2-(3-mercaptopropylamino)-3-methyl-butanoyl]amino]-5-methyl-2-[2-(methylthio)ethyl]enanthic acid Formula: C19H37N3O4S2 MolecularWeight: 435.64478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CCSC)(C(=O)O)NC(=O)C(C(C)C)NCCCS)N

Isomeric SMILES

CCC(C)C(C(=O)C(CCSC)(C(=O)O)NC(=O)C(C(C)C)NCCCS)N

InChI

InChI=1S/C19H37N3O4S2/c1-6-13(4)14(20)16(23)19(18(25)26,8-11-28-5)22-17(24)15(12(2)3)21-9-7-10-27/h12-15,21,27H,6-11,20H2,1-5H3,(H,22,24)(H,25,26)