[(2R,3S,4R,5R,6R)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-methyl-6-[4-[(E)-3-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propylamino]-3-oxidanylidene-prop-1-enyl]phenoxy]-3-oxidanyl-oxan-4-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-methyl-6-[4-[(E)-3-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propylamino]-3-oxidanylidene-prop-1-enyl]phenoxy]-3-oxidanyl-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5S,6R)-3-[bis(tert-butoxycarbonylamino)methyleneamino]-2-[4-[(E)-3-[3-[tert-butoxycarbonyl-[4-(tert-butoxycarbonylamino)butyl]amino]propylamino]-3-oxo-prop-1-enyl]phenoxy]-5-hydroxy-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6R)-5-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-3-hydroxy-2-methyl-6-[4-[(E)-3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]amino]propylamino]-3-oxoprop-1-enyl]phenoxy]-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-hydroxy-2-methyl-6-[4-[(E)-3-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propylamino]-3-oxoprop-1-enyl]phenoxy]oxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S,6R)-3-[bis(tert-butoxycarbonylamino)methyleneamino]-2-[4-[(E)-3-[3-[tert-butoxycarbonyl-[4-(tert-butoxycarbonylamino)butyl]amino]propylamino]-3-keto-prop-1-enyl]phenoxy]-5-hydroxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C50H74N6O14 MolecularWeight: 983.15436

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C50H74N6O14/c1-32-38(58)39(66-40(59)34-20-15-14-16-21-34)37(53-42(54-44(61)68-48(5,6)7)55-45(62)69-49(8,9)10)41(64-32)65-35-25-22-33(23-26-35)24-27-36(57)51-29-19-31-56(46(63)70-50(11,12)13)30-18-17-28-52-43(60)67-47(2,3)4/h14-16,20-27,32,37-39,41,58H,17-19,28-31H2,1-13H3,(H,51,57)(H,52,60)(H2,53,54,55,61,62)/b27-24+/t32-,37-,38+,39-,41-/m1/s1