acetyloxymethyl 2-[(5S,11S,14R)-11-[3-[bis(azanyl)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(azanyl)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)-14-ethyl-11-(3-guanidinopropyl)-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-(diaminomethylideneamino)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-(diaminomethylideneamino)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)-14-ethyl-11-(3-guanidinopropyl)-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: C28H40N8O9 MolecularWeight: 632.6654

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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(N)N)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(N)N)C

InChI

InChI=1S/C28H40N8O9/c1-4-19-27(43)36(3)21(9-6-10-31-28(29)30)26(42)33-14-22(38)34-20(12-23(39)45-15-44-16(2)37)25(41)32-13-17-7-5-8-18(11-17)24(40)35-19/h5,7-8,11,19-21H,4,6,9-10,12-15H2,1-3H3,(H,32,41)(H,33,42)(H,34,38)(H,35,40)(H4,29,30,31)/t19-,20+,21+/m1/s1