acetyloxymethyl 2-[(5S,11S,14R)-11-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentakis(oxidanylidene)-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoate

Systemtic Name: acetyloxymethyl 2-[(5S,11S,14R)-11-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentakis(oxidanylidene)-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoate Openeye Name: acetoxymethyl 2-[(5S,11S,14R)-11-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetate CAS Name: 2-[(5S,11S,14R)-11-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-[(5S,11S,14R)-11-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetate Traditional Name: 2-[(5S,11S,14R)-11-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-14-ethyl-4,7,10,13,16-pentaketo-12-methyl-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid acetoxymethyl ester Formula: C44H52N8O13 MolecularWeight: 900.92948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C(=O)NCC(=O)NC(C(=O)NCC2=CC=CC(=C2)C(=O)N1)CC(=O)OCOC(=O)C)CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC=CC(=C2)C(=O)N1)CC(=O)OCOC(=O)C)CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C44H52N8O13/c1-4-33-41(59)52(3)35(19-12-20-45-42(50-43(60)62-25-29-13-7-5-8-14-29)51-44(61)63-26-30-15-9-6-10-16-30)40(58)47-24-36(54)48-34(22-37(55)65-27-64-28(2)53)39(57)46-23-31-17-11-18-32(21-31)38(56)49-33/h5-11,13-18,21,33-35H,4,12,19-20,22-27H2,1-3H3,(H,46,57)(H,47,58)(H,48,54)(H,49,56)(H2,45,50,51,60,61)/t33-,34+,35+/m1/s1