Technical Information |
Synonym: LY2510924; LY-2510924; LY 2510924, Cyclo[Phe-Tyr-Lys(iPr)-D-Arg-2-Nal-Gly-D-Glu]-Lys(iPr)-NH2 IUPAC/Chemical Name: (2S, 5S, 20R)-N-((S)-1-amino-6-(isopropylamino)-1-oxohexan-2-yl)-2-benzyl-5-(4-hydroxybenzyl)-8-(4-(isopropylamino)butyl)-14-(naphthalen-2-ylmethyl)-3, 6, 9, 12, 15, 18, 23-heptaoxo-11-(3-ureidopropyl)-1, 4, 7, 10, 13, 16, 19-heptaazacyclotricosane-20-carboxamide InChi Key: DDZCMBOHPTXPRC-AOSPDLCISA-N InChi Code: InChI=1S/C62H87N13O11/c1-38(2)65-30-12-10-19-46(55(63)79)71-59(83)49-28-29-53(77)70-51(34-40-15-6-5-7-16-40)60(84)75-52(35-41-23-26-45(76)27-24-41)61(85)73-47(20-11-13-31-66-39(3)4)57(81)72-48(21-14-32-67-62(64)86)58(82)74-50(56(80)68-37-54(78)69-49)36-42-22-25-43-17-8-9-18-44(43)33-42/h5-9, 15-18, 22-27, 33, 38-39, 46-52, 65-66, 76H, 10-14, 19-21, 28-32, 34-37H2, 1-4H3, (H2, 63, 79)(H, 68, 80)(H, 69, 78)(H, 70, 77)(H, 71, 83)(H, 72, 81)(H, 73, 85)(H, 74, 82)(H, 75, 84)(H3, 64, 67, 86)/t46-, 47?, 48?, 49+, 50?, 51-, 52-/m0/s1 SMILES Code: O=C(NCC(N[CH](C(N[CH](CCCCNC(C)C)C(N)=O)=O)CCC(N[CH](CC1=CC=CC=C1)C(N[CH](CC2=CC=C(O)C=C2)C3=O)=O)=O)=O)C(CC4=CC=C(C=CC=C5)C5=C4)NC(C(CCCNC(N)=O)NC(C(N3)CCCCNC(C)C)=O)=O |