(2S,3R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-19-((R)-2-(4-((1,3-bis(tert-butoxycarbonyl)guanidino)methyl)-2-(trimethylstannyl)benzamido)-3-phenylpropanamido)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanoic acid

Catalog No. : KL-1120358-226

Cas No. : 1120358-22-6

Standard English name : (2S,3R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-19-((R)-2-(4-((1,3-bis(tert-butoxycarbonyl)guanidino)methyl)-2-(trimethylstannyl)benzamido)-3-phenylpropanamido)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanoic acid

Molecular Formula : C₇₁H₉₇N₁₃O₁₆S₂Sn

Molecular Weight : 1,571.45

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GHS
Smiles	O=C1[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC([C@@H](CC2=CC=CC=C2)NC(C2=C([Sn](C)(C)C)C=C(CN(C(OC(C)(C)C)=O)C(NC(OC(C)(C)C)=O)=N)C=C2)=O)=O)CSSC[C@@H](C(N[C@H](C(O)=O)[C@H](O)C)=O)NC(=O)[C@]([H])([C@H](O)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)N1
Inchi	InChI=1S/C68H88N13O16S2.3CH3.Sn/c1-38(82)53-62(91)77-52(61(90)79-54(39(2)83)63(92)93)37-99-98-36-51(60(89)74-49(32-41-21-13-10-14-22-41)57(86)75-50(33-44-34-71-46-24-16-15-23-45(44)46)59(88)72-47(56(85)78-53)25-17-18-30-69)76-58(87)48(31-40-19-11-9-12-20-40)73-55(84)43-28-26-42(27-29-43)35-81(66(95)97-68(6,7)8)64(70)80-65(94)96-67(3,4)5;;;;/h9-16,19-24,26-28,34,38-39,47-54,71,82-83H,17-18,25,30-33,35-37,69H2,1-8H3,(H,72,88)(H,73,84)(H,74,89)(H,75,86)(H,76,87)(H,77,91)(H,78,85)(H,79,90)(H,92,93)(H2,70,80,94);3*1H3;/t38-,39-,47+,48-,49+,50-,51+,52+,53+,54+;;;;/m1..../s1
InchiKey	MCVHSMILPJBSIX-ZUKRRTPFSA-N
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