5-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylamino]-5-oxo-pentanoic acid CAS Name: 5-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-5-[1-[2-(2-furfurylthio)acetyl]pentylamino]-5-keto-valeric acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O7S/c1-2-3-11-20(22(28)17-35-16-19-10-7-14-33-19)26-24(31)21(12-13-23(29)30)27-25(32)34-15-18-8-5-4-6-9-18/h4-10,14,20-21H,2-3,11-13,15-17H2,1H3,(H,26,31)(H,27,32)(H,29,30)