AzRTB. 5-(((S)-22-((5S,8R)-1-Azido-8-(3-guanidinopropyl)-5-methyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazanonadecanamido)-5,21-dioxo-1-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-10,13,16-trioxa-6,20-diazahexacosan-26-yl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate.
Molecular Weight: 1,481.76
Elemental Analysis: C, 57.55; H, 7.07; N, 17.01; O, 16.20; S, 2.16
Standard InChI: InChI=1S/C71H104N18O15S/c1-45(82-61(92)27-33-81-87-74)65(94)84-54(17-13-30-79-70(72)73)68(97)80-43-62(93)76-28-11-6-7-20-60(91)83-53(67(96)78-32-15-35-102-37-39-103-38-36-101-34-14-31-75-59(90)19-9-8-18-58-64-55(44-105-58)85-71(100)86-64)16-10-12-29-77-66(95)46-21-24-49(52(40-46)69(98)99)63-50-25-22-47(88(2)3)41-56(50)104-57-42-48(89(4)5)23-26-51(57)63/h21-26,40-42,45,53-55,58,64H,6-20,27-39,43-44H2,1-5H3,(H14-,72,73,75,76,77,78,79,80,82,83,84,85,86,90,91,92,93,94,95,96,97,98,99,100)/t45-,53-,54+,55-,58-,64-/m0/s1
Standard InChIKey: LLCNQOQIKNGDQX-NGIAJEOFSA-N
SMILES: O=C(NCCCOCCOCCOCCCNC(CCCC[C@H]1[C@@H]2[C@@H](NC(N2)=O)CS1)=O)[C@H](CCCCNC(C(C=C3C([O-])=O)=CC=C3C(C4=CC=C(N(C)C)C=C4O5)=C(C=C/6)C5=CC6=[N+](C)\C)=O)NC(CCCCCNC(CNC([C@@H](CCCNC(N)=N)NC([C@H](C)NC(CCN=[N+]=[N-])=O)=O)=O)=O)=O
Chemical Formula: C71H104N18O15S