Catalog Number:
AG002QY6
Chemical Name:
L-Lysinamide, L-alanyl-L-leucyl-L-cysteinyl-L-asparaginyl-L-cysteinyl-L-asparaginyl-L-arginyl-L-isoleucyl-L-isoleucyl-L-isoleucyl-L-prolyl-L-histidyl-L-glutaminyl-L-cysteinyl-L-tryptophyl-L-lysyl-L-lysyl-L-cysteinylglycyl-L-lysyl-, cyclic (3→14),(5→18)-bis(disulfide)
CAS Number:
910044-56-3
Molecular Formula:
C106H175N35O24S4
Molecular Weight:
2452.0038
MDL Number:
MFCD31630722
IUPAC Name:
39,42-bis(4-aminobutyl)-N-[2-[[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-28,55-bis(2-amino-2-oxoethyl)-4-(3-amino-3-oxopropyl)-52-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-16,19,22-tri(butan-2-yl)-25-(3-carbamimidamidopropyl)-7-(1H-imidazol-4-ylmethyl)-45-(1H-indol-3-ylmethyl)-3,6,9,15,18,21,24,27,30,38,41,44,47,53,56-pentadecaoxo-33,34,49,50-tetrathia-2,5,8,14,17,20,23,26,29,37,40,43,46,54,57-pentadecazatricyclo[29.16.10.010,14]heptapentacontane-36-carboxamide
InChI:
InChI=1S/C106H175N35O24S4/c1-10-55(6)83-103(163)139-84(56(7)11-2)104(164)140-85(57(8)12-3)105(165)141-40-24-32-78(141)102(162)133-71(43-60-47-118-53-122-60)96(156)128-68(33-34-79(112)142)92(152)135-75-50-168-169-51-76(136-94(154)69(41-54(4)5)129-87(147)58(9)111)100(160)132-73(45-81(114)144)98(158)137-77(101(161)131-72(44-80(113)143)97(157)127-67(93(153)138-83)31-23-39-119-106(116)117)52-167-166-49-74(88(148)121-48-82(145)123-64(28-16-20-36-108)89(149)124-63(86(115)146)27-15-19-35-107)134-91(151)66(30-18-22-38-110)125-90(150)65(29-17-21-37-109)126-95(155)70(130-99(75)159)42-59-46-120-62-26-14-13-25-61(59)62/h13-14,25-26,46-47,53-58,63-78,83-85,120H,10-12,15-24,27-45,48-52,107-111H2,1-9H3,(H2,112,142)(H2,113,143)(H2,114,144)(H2,115,146)(H,118,122)(H,121,148)(H,123,145)(H,124,149)(H,125,150)(H,126,155)(H,127,157)(H,128,156)(H,129,147)(H,130,159)(H,131,161)(H,132,160)(H,133,162)(H,134,151)(H,135,152)(H,136,154)(H,137,158)(H,138,153)(H,139,163)(H,140,164)(H4,116,117,119)
InChI Key:
GMZAXHIZSCRCHM-UHFFFAOYSA-N
SMILES:
NCCCCC(C(=O)NC(C(=O)N)CCCCN)NC(=O)CNC(=O)C1CSSCC2NC(=O)C(CC(=O)N)NC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CCCCN)Cc1c[nH]c3c1cccc3)NC(=O)C(CCC(=O)N)NC(=O)C(Cc1nc[nH]c1)NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(=O)N)CCCNC(=N)N)C(CC)C)C(CC)C)C(CC)C)CCC1)NC(=O)C(NC(=O)C(N)C)CC(C)C
