TN-14003

TN-14003

Catalog	BR00028613
CAS	368874-31-1
Synonyms	TN-14003; TN14003; TN 14003
IUPAC Name	(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[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-carboxamide
Molecular Weight	2037.451 g/mol
Molecular Formula	C90H141N33O18S2
Canonical SMILES	O=C([C@@H](NC([C@H](CCCNC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC1=CC=C(O)C=C1)N2)=O)=O)=O)CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC3=CC=C4C=CC=CC4=C3)=O)C(N[C@@H](CC5=CC=C(O)C=C5)C(N[C@@H](CCCNC(N)=O)C(N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N6CCCC6C2=O)=O)=O)=O)=O)=O)N[C@@H](CCCNC(N)=N)C(N)=O
InChI	InChI=1S/C90H141N33O18S2/c91-35-5-3-17-59-75(130)117-64(18-4-6-36-92)84(139)123-43-13-24-70(123)83(138)120-66(46-51-28-33-56(125)34-29-51)79(134)116-61(21-10-40-108-88(101)102)74(129)114-63(23-12-42-110-90(104)141)77(132)121-68(81(136)111-58(71(94)126)19-8-38-106-86(97)98)48-142-143-49-69(82(137)119-65(45-50-26-31-55(124)32-27-50)78(133)115-62(73(128)113-59)22-11-41-109-89(103)140)122-80(135)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-76(131)60(20-9-39-107-87(99)100)112-72(127)57(93)16-7-37-105-85(95)96/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H2,94,126)(H,111,136)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,135)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70?/m0/s1
InChI Key	DGQKRQOCJFODHN-BEJJTRLSSA-N
Purity	≥98%
Appearance	Solid powder
Shelf Life	>3 years if stored properly
Storage	Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Drug Formulation	This drug may be formulated in DMSO
Elemental Analysis	C, 53.06; H, 6.98; N, 22.69; O, 14.13; S, 3.15
Exact Mass	2036.0574
HS Tariff Code	2934.99.9001
Shipping	Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Stock Solution Storage	0 - 4 C for short term (days to weeks), or -20 C for long term (months).

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