tert-butyl 5-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 5-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 4-(benzyloxycarbonylamino)-5-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylamino]-5-oxo-pentanoate CAS Name: 5-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 4-(benzyloxycarbonylamino)-5-[1-[2-(2-furfurylthio)acetyl]pentylamino]-5-keto-valeric acid tert-butyl ester Formula: C29H40N2O7S MolecularWeight: 560.7021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O7S/c1-5-6-14-23(25(32)20-39-19-22-13-10-17-36-22)30-27(34)24(15-16-26(33)38-29(2,3)4)31-28(35)37-18-21-11-8-7-9-12-21/h7-13,17,23-24H,5-6,14-16,18-20H2,1-4H3,(H,30,34)(H,31,35)