Synonyms:
(2S)-6-amino-2-[[(4R,7S,10R,13R,16S,19S,22R,25S,28S,31S,34R,37S)-37-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-16-[(1R)-1-hydroxyethyl]-7,10-bis(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]hexanoic acid
Appearance:
Melting point:
Boiling point:
Flash point:
Storage:
Store in 2-8°C for long term (months)
Smiles:
C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O)CO)CO)CC1=CC=CC=C1)O
Inchi:
InChI=1S/C161H240N46O41S2/c1-87(2)72-107(195-150(238)120-48-28-68-204(120)157(245)122-50-30-70-206(122)155(243)104(46-26-66-176-161(172)173)187-136(224)102(55-59-128(215)216)184-134(222)100-54-58-127(214)179-100)138(226)185-101(52-56-124(167)211)135(223)188-105(53-57-125(168)212)156(244)207-71-31-51-123(207)158(246)205-69-29-49-121(205)151(239)196-112(77-93-81-174-86-178-93)143(231)182-99(45-25-65-175-160(170)171)133(221)194-114(79-129(217)218)145(233)180-96(40-15-20-60-162)131(219)186-103(43-18-23-63-165)154(242)203-67-27-47-119(203)152(240)201-118-85-250-249-84-117(149(237)189-106(159(247)248)44-19-24-64-166)200-147(235)116(83-209)199-146(234)115(82-208)198-141(229)110(75-91-36-11-6-12-37-91)197-153(241)130(88(3)210)202-137(225)98(42-17-22-62-164)181-142(230)111(76-92-80-177-95-39-14-13-38-94(92)95)192-140(228)109(74-90-34-9-5-10-35-90)190-139(227)108(73-89-32-7-4-8-33-89)191-144(232)113(78-126(169)213)193-132(220)97(183-148(118)236)41-16-21-61-163/h4-14,32-39,80-81,86-88,96-123,130,177,208-210H,15-31,40-79,82-85,162-166H2,1-3H3,(H2,167,211)(H2,168,212)(H2,169,213)(H,174,178)(H,179,214)(H,180,233)(H,181,230)(H,182,231)(H,183,236)(H,184,222)(H,185,226)(H,186,219)(H,187,224)(H,188,223)(H,189,237)(H,190,227)(H,191,232)(H,192,228)(H,193,220)(H,194,221)(H,195,238)(H,196,239)(H,197,241)(H,198,229)(H,199,234)(H,200,235)(H,201,240)(H,202,225)(H,215,216)(H,217,218)(H,247,248)(H4,170,171,175)(H4,172,173,176)/t88-,96+,97-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110-,111-,112+,113+,114+,115-,116+,117+,118-,119+,120+,121+,122+,123+,130+/m1/s1
InchiKey:
GQJOQLQAIUKBOS-VPLUALEBSA-N
