(diphenylmethyl) (2R,3R,4S)-3-acetamido-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: (diphenylmethyl) (2R,3R,4S)-3-acetamido-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: benzhydryl (2R,3R,4S)-3-acetamido-4-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2R,3R,4S)-3-acetamido-4-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-2-[(dipropylamino)-oxomethyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2R,3R,4S)-3-acetamido-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2R,3R,4S)-3-acetamido-4-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid benzhydryl ester Formula: C39H53N5O9 MolecularWeight: 735.86622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1C(C(C=C(O1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCCN(CCC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C39H53N5O9/c1-10-22-44(23-11-2)33(46)32-30(40-25(3)45)28(41-35(42-36(48)52-38(4,5)6)43-37(49)53-39(7,8)9)24-29(50-32)34(47)51-31(26-18-14-12-15-19-26)27-20-16-13-17-21-27/h12-21,24,28,30-32H,10-11,22-23H2,1-9H3,(H,40,45)(H2,41,42,43,48,49)/t28-,30+,32+/m0/s1