Synonyms:
(2S)-6-amino-2-[[(4R,7S,10R,13R,16S,19S,22R,25S,28S,31S,34R,37S)-37-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-19-(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-34-(3-carbamimidamidopropyl)-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:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
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)CCCNC(=N)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCCN8C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]9CCC(=O)N9)C(=O)N[C@@H](CCCCN)C(=O)O)CO)CO)CC1=CC=CC=C1)O
InchiKey:
NMKGQIZZCGSFBF-CTIDPWONSA-N
Inchi:
InChI=1S/C149H223N47O42S3/c1-76(170-134(226)102(71-197)188-126(218)92(44-48-110(152)201)178-125(217)93(45-49-111(153)202)179-139(231)108-42-25-60-195(108)144(236)109-43-26-61-196(109)142(234)77(2)169-114(205)70-168-119(211)90(47-51-115(206)207)177-124(216)91-46-50-113(204)171-91)118(210)172-86(37-20-55-163-146(155)156)120(212)173-88(39-22-57-165-148(159)160)123(215)186-101(68-116(208)209)133(225)175-87(38-21-56-164-147(157)158)121(213)180-94(52-62-239-4)143(235)194-59-24-41-107(194)140(232)192-106-75-241-240-74-105(138(230)181-95(145(237)238)36-17-19-54-151)191-136(228)104(73-199)190-135(227)103(72-198)189-130(222)98(65-81-31-12-7-13-32-81)187-141(233)117(78(3)200)193-127(219)85(35-16-18-53-150)174-131(223)99(66-82-69-167-84-34-15-14-33-83(82)84)184-129(221)97(64-80-29-10-6-11-30-80)182-128(220)96(63-79-27-8-5-9-28-79)183-132(224)100(67-112(154)203)185-122(214)89(176-137(106)229)40-23-58-166-149(161)162/h5-15,27-34,69,76-78,85-109,117,167,197-200H,16-26,35-68,70-75,150-151H2,1-4H3,(H2,152,201)(H2,153,202)(H2,154,203)(H,168,211)(H,169,205)(H,170,226)(H,171,204)(H,172,210)(H,173,212)(H,174,223)(H,175,225)(H,176,229)(H,177,216)(H,178,217)(H,179,231)(H,180,213)(H,181,230)(H,182,220)(H,183,224)(H,184,221)(H,185,214)(H,186,215)(H,187,233)(H,188,218)(H,189,222)(H,190,227)(H,191,228)(H,192,232)(H,193,219)(H,206,207)(H,208,209)(H,237,238)(H4,155,156,163)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t76-,77-,78+,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,100-,101-,102-,103+,104-,105-,106+,107-,108-,109-,117-/m0/s1
