methyl 2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H38N2O4S2 MolecularWeight: 530.74232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)OC)C=CC(CS)N

Isomeric SMILES

CC(C)C(COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)OC)/C=C/C(CS)N

InChI

InChI=1S/C28H38N2O4S2/c1-19(2)21(10-11-22(29)18-35)17-34-23-12-13-24(20-8-6-5-7-9-20)25(16-23)27(31)30-26(14-15-36-4)28(32)33-3/h5-13,16,19,21-22,26,35H,14-15,17-18,29H2,1-4H3,(H,30,31)/b11-10+