Azt-suc-t140

Structural Information

Molecular Formula

C₁₀₄H₁₅₇N₃₉O₂₄S₂

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCC(=O)NN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6CCCN6C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCCN)CCCCN)CC8=CC=C(C=C8)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C104H157N39O24S2/c1-56-52-143(104(165)137-83(56)148)81-51-72(139-141-118)79(167-81)53-166-82(147)37-36-80(146)140-138-69(23-12-43-122-101(113)114)89(154)127-67(21-10-42-121-100(111)112)87(152)132-75(50-59-26-31-60-15-2-3-16-61(60)47-59)92(157)136-77-55-169-168-54-76(93(158)131-71(97(162)163)24-13-44-123-102(115)116)135-88(153)68(22-11-45-124-103(117)164)126-85(150)66(20-9-41-120-99(109)110)129-91(156)74(49-58-29-34-63(145)35-30-58)134-95(160)78-25-14-46-142(78)96(161)70(18-5-7-39-106)130-86(151)64(17-4-6-38-105)125-84(149)65(19-8-40-119-98(107)108)128-90(155)73(133-94(77)159)48-57-27-32-62(144)33-28-57/h2-3,15-16,26-35,47,52,64-79,81,138,144-145H,4-14,17-25,36-46,48-51,53-55,105-106H2,1H3,(H,125,149)(H,126,150)(H,127,154)(H,128,155)(H,129,156)(H,130,151)(H,131,158)(H,132,152)(H,133,159)(H,134,160)(H,135,153)(H,136,157)(H,140,146)(H,162,163)(H4,107,108,119)(H4,109,110,120)(H4,111,112,121)(H4,113,114,122)(H4,115,116,123)(H3,117,124,164)(H,137,148,165)/t64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-,78-,79+,81+/m0/s1

InChIKey

GISUGEWWRBHWIY-PDIAQVTESA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-4-oxobutanoyl]hydrazinyl]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130677