methyl (2S)-2-[[5-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[5-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-[(E,4R)-4-amino-5-mercaptopent-2-enyl]-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-[(E,4R)-4-amino-5-mercapto-pent-2-enyl]-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H32N2O3S2 MolecularWeight: 424.62038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C/C=C/[C@H](CS)N)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C21H32N2O3S2/c1-14(2)17-9-8-15(6-5-7-16(22)13-27)12-18(17)20(24)23-19(10-11-28-4)21(25)26-3/h5,7-9,12,14,16,19,27H,6,10-11,13,22H2,1-4H3,(H,23,24)/b7-5+/t16-,19+/m1/s1