methyl 2-[5-[[2-acetamido-3-(4-azanyl-3-propan-2-yl-phenyl)propanoyl]amino]pentanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[5-[[2-acetamido-3-(4-azanyl-3-propan-2-yl-phenyl)propanoyl]amino]pentanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[5-[[2-acetamido-3-(4-amino-3-isopropyl-phenyl)propanoyl]amino]pentanoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[5-[[2-acetamido-3-(4-amino-3-propan-2-ylphenyl)-1-oxopropyl]amino]-1-oxopentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[5-[[2-acetamido-3-(4-amino-3-propan-2-ylphenyl)propanoyl]amino]pentanoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[5-[[2-acetamido-3-(4-amino-3-isopropyl-phenyl)propanoyl]amino]pentanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C25H40N4O5S MolecularWeight: 508.6739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)CC(C(=O)NCCCCC(=O)NC(CCSC)C(=O)OC)NC(=O)C)N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)CC(C(=O)NCCCCC(=O)NC(CCSC)C(=O)OC)NC(=O)C)N

InChI

InChI=1S/C25H40N4O5S/c1-16(2)19-14-18(9-10-20(19)26)15-22(28-17(3)30)24(32)27-12-7-6-8-23(31)29-21(11-13-35-5)25(33)34-4/h9-10,14,16,21-22H,6-8,11-13,15,26H2,1-5H3,(H,27,32)(H,28,30)(H,29,31)