6-(furan-2-ylmethylsulfanyl)-4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-hexanoic acid

Systemtic Name: 6-(furan-2-ylmethylsulfanyl)-4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-hexanoic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-6-(2-furylmethylsulfanyl)-5-oxo-hexanoic acid CAS Name: 6-(2-furanylmethylthio)-4-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxohexanoic acid IUPAC Name: 6-(furan-2-ylmethylsulfanyl)-4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxohexanoic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-6-(2-furfurylthio)-5-keto-hexanoic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)CSCC1=CC=CO1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)CSCC1=CC=CO1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O7S/c1-17(2)13-21(27-25(32)34-14-18-7-4-3-5-8-18)24(31)26-20(10-11-23(29)30)22(28)16-35-15-19-9-6-12-33-19/h3-9,12,17,20-21H,10-11,13-16H2,1-2H3,(H,26,31)(H,27,32)(H,29,30)