Azt-suc-tz14004

Structural Information

Molecular Formula

C₁₀₄H₁₅₈N₄₀O₂₃S₂

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)N)N=[N+]=[N-]

InChI

InChI=1S/C104H158N40O23S2/c1-56-52-144(104(165)138-84(56)150)81-51-72(140-142-119)79(167-81)53-166-82(148)37-36-80(147)141-139-70(24-13-44-124-102(116)117)90(156)129-68(22-11-43-123-101(114)115)88(154)133-75(50-59-26-31-60-15-2-3-16-61(60)47-59)93(159)137-77-55-169-168-54-76(94(160)126-64(83(107)149)19-8-40-120-98(108)109)136-89(155)69(23-12-45-125-103(118)164)128-86(152)67(21-10-42-122-100(112)113)131-92(158)74(49-58-29-34-63(146)35-30-58)135-96(162)78-25-14-46-143(78)97(163)71(18-5-7-39-106)132-87(153)65(17-4-6-38-105)127-85(151)66(20-9-41-121-99(110)111)130-91(157)73(134-95(77)161)48-57-27-32-62(145)33-28-57/h2-3,15-16,26-35,47,52,64-79,81,139,145-146H,4-14,17-25,36-46,48-51,53-55,105-106H2,1H3,(H2,107,149)(H,126,160)(H,127,151)(H,128,152)(H,129,156)(H,130,157)(H,131,158)(H,132,153)(H,133,154)(H,134,161)(H,135,162)(H,136,155)(H,137,159)(H,141,147)(H4,108,109,120)(H4,110,111,121)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H3,118,125,164)(H,138,150,165)/t64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79+,81+/m0/s1

InChIKey

KJUNTFLAVPXWLS-MYMOAFPSSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-[2-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-20-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-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]pentatriacontan-15-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanoate

Related CIDs

• CID 16130680