As-80203

Structural Information

Molecular Formula

C₈₃H₁₃₃N₂₉O₂₇S₄

SMILES

CC(C)CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC2CSSCC(NC(=O)C(NC2=O)CCCNC(=N)N)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C83H133N29O27S4/c1-42(2)28-50-76(133)107-51(29-44-14-6-5-7-15-44)70(127)98-38-65(121)112-68(43(3)4)80(137)109-53(31-67(124)125)77(134)104-45(18-12-25-91-82(87)88)69(126)97-36-63(119)101-47(17-9-11-24-85)74(131)110-54(39-141-140-27-22-58(114)100-46(16-8-10-23-84)73(130)108-52(30-66(122)123)78(135)106-50)71(128)96-34-61(117)94-32-59(115)93-33-60(116)95-35-62(118)103-56-41-143-142-40-55(111-75(132)48(105-79(56)136)19-13-26-92-83(89)90)72(129)99-37-64(120)102-49(81(138)139)20-21-57(86)113/h5-7,14-15,42-43,45-56,68H,8-13,16-41,84-85H2,1-4H3,(H2,86,113)(H,93,115)(H,94,117)(H,95,116)(H,96,128)(H,97,126)(H,98,127)(H,99,129)(H,100,114)(H,101,119)(H,102,120)(H,103,118)(H,104,134)(H,105,136)(H,106,135)(H,107,133)(H,108,130)(H,109,137)(H,110,131)(H,111,132)(H,112,121)(H,122,123)(H,124,125)(H,138,139)(H4,87,88,91)(H4,89,90,92)

InChIKey

PVLXIJSXQQLSEN-UHFFFAOYSA-N

Compound name

5-amino-2-[[2-[[10-[[2-[[2-[[2-[[2-[[7,34-bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71433880