methyl 2-[[2-azanyl-3-(4-iodophenyl)propanoyl]-(2-azanyl-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(4-iodophenyl)propanoyl]-(2-azanyl-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-amino-3-(4-iodophenyl)propanoyl]-(2-amino-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(4-iodophenyl)-1-oxopropyl]-(2-amino-3-methyl-1-oxopentyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(4-iodophenyl)propanoyl]-(2-amino-3-methylpentanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-(4-iodophenyl)propanoyl]-(2-amino-3-methyl-pentanoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C21H32IN3O4S MolecularWeight: 549.46595

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(CCSC)C(=O)OC)C(=O)C(CC1=CC=C(C=C1)I)N)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(CCSC)C(=O)OC)C(=O)C(CC1=CC=C(C=C1)I)N)N

InChI

InChI=1S/C21H32IN3O4S/c1-5-13(2)18(24)20(27)25(17(10-11-30-4)21(28)29-3)19(26)16(23)12-14-6-8-15(22)9-7-14/h6-9,13,16-18H,5,10-12,23-24H2,1-4H3