5-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-N-[(3S)-6-(furan-2-yl)-1-methylsulfanyl-4-oxidanylidene-hexan-3-yl]-2-propan-2-yl-benzamide

Systemtic Name: 5-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-N-[(3S)-6-(furan-2-yl)-1-methylsulfanyl-4-oxidanylidene-hexan-3-yl]-2-propan-2-yl-benzamide Openeye Name: 5-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-N-[(1S)-4-(2-furyl)-1-(2-methylsulfanylethyl)-2-oxo-butyl]-2-isopropyl-benzamide CAS Name: 5-[(E,4R)-4-amino-5-mercaptopent-2-enyl]-N-[(3S)-6-(2-furanyl)-1-(methylthio)-4-oxohexan-3-yl]-2-propan-2-ylbenzamide IUPAC Name: 5-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-N-[(3S)-6-(furan-2-yl)-1-methylsulfanyl-4-oxohexan-3-yl]-2-propan-2-ylbenzamide Traditional Name: 5-[(E,4R)-4-amino-5-mercapto-pent-2-enyl]-N-[(1S)-4-(2-furyl)-2-keto-1-[2-(methylthio)ethyl]butyl]-2-isopropyl-benzamide Formula: C26H36N2O3S2 MolecularWeight: 488.70564

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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)CCC2=CC=CO2

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)CCC2=CC=CO2

InChI

InChI=1S/C26H36N2O3S2/c1-18(2)22-11-9-19(6-4-7-20(27)17-32)16-23(22)26(30)28-24(13-15-33-3)25(29)12-10-21-8-5-14-31-21/h4-5,7-9,11,14,16,18,20,24,32H,6,10,12-13,15,17,27H2,1-3H3,(H,28,30)/b7-4+/t20-,24+/m1/s1