tert-butyl (2R)-2-(heptanoylamino)-5-[[(2S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-7-oxidanyl-1-oxidanylidene-heptan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2R)-2-(heptanoylamino)-5-[[(2S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-7-oxidanyl-1-oxidanylidene-heptan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2R)-5-[[(1S,5R)-5-(tert-butoxycarbonylamino)-1-[[(1R)-2-tert-butoxy-1-methyl-2-oxo-ethyl]carbamoyl]-6-hydroxy-hexyl]amino]-2-(heptanoylamino)-5-oxo-pentanoate CAS Name: (2R)-5-[[(2S,6R)-7-hydroxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxoheptan-2-yl]amino]-5-oxo-2-(1-oxoheptylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(heptanoylamino)-5-[[(2S,6R)-7-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxoheptan-2-yl]amino]-5-oxopentanoate Traditional Name: (2R)-5-[[(1S,5R)-5-(tert-butoxycarbonylamino)-1-[[(1R)-2-tert-butoxy-2-keto-1-methyl-ethyl]carbamoyl]-6-hydroxy-hexyl]amino]-2-(enanthylamino)-5-keto-valeric acid tert-butyl ester Formula: C35H64N4O10 MolecularWeight: 700.90346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCC(=O)NC(CCCC(CO)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](CO)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H64N4O10/c1-12-13-14-15-19-27(41)39-26(31(45)48-34(6,7)8)20-21-28(42)38-25(29(43)36-23(2)30(44)47-33(3,4)5)18-16-17-24(22-40)37-32(46)49-35(9,10)11/h23-26,40H,12-22H2,1-11H3,(H,36,43)(H,37,46)(H,38,42)(H,39,41)/t23-,24-,25+,26-/m1/s1