Sb 37

Structural Information

Molecular Formula

C₁₈₈H₃₂₀N₅₄O₄₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCSC)N

InChI

InChI=1S/C188H320N54O45S/c1-27-104(17)150(185(286)237-149(103(15)16)179(280)224-120(59-37-44-75-190)163(264)211-108(21)154(255)209-96-142(248)241-83-52-67-135(241)176(277)214-111(24)158(259)238-151(105(18)28-2)182(283)215-112(25)157(258)234-147(101(11)12)180(281)231-130(87-99(7)8)159(260)206-93-139(245)217-127(69-71-143(249)250)164(265)213-109(22)155(256)218-119(58-36-43-74-189)162(263)212-110(23)156(257)227-129(86-98(5)6)160(261)210-97-145(253)254)233-141(247)95-207-161(262)133(90-137(197)243)229-168(269)126(66-51-82-204-188(201)202)225-183(284)153(107(20)30-4)240-175(276)134(91-138(198)244)230-165(266)118(65-50-81-203-187(199)200)216-140(246)94-208-178(279)146(100(9)10)235-170(271)123(62-40-47-78-193)220-169(270)128(70-72-144(251)252)226-184(285)152(106(19)29-3)239-172(273)125(64-42-49-80-195)219-166(267)121(60-38-45-76-191)221-173(274)131(88-113-54-32-31-33-55-113)232-181(282)148(102(13)14)236-171(272)124(63-41-48-79-194)222-174(275)132(89-114-92-205-117-57-35-34-56-115(114)117)228-167(268)122(61-39-46-77-192)223-177(278)136-68-53-84-242(136)186(287)116(196)73-85-288-26/h31-35,54-57,92,98-112,116,118-136,146-153,205H,27-30,36-53,58-91,93-97,189-196H2,1-26H3,(H2,197,243)(H2,198,244)(H,206,260)(H,207,262)(H,208,279)(H,209,255)(H,210,261)(H,211,264)(H,212,263)(H,213,265)(H,214,277)(H,215,283)(H,216,246)(H,217,245)(H,218,256)(H,219,267)(H,220,270)(H,221,274)(H,222,275)(H,223,278)(H,224,280)(H,225,284)(H,226,285)(H,227,257)(H,228,268)(H,229,269)(H,230,266)(H,231,281)(H,232,282)(H,233,247)(H,234,258)(H,235,271)(H,236,272)(H,237,286)(H,238,259)(H,239,273)(H,240,276)(H,249,250)(H,251,252)(H,253,254)(H4,199,200,203)(H4,201,202,204)/t104-,105-,106-,107-,108-,109-,110-,111-,112-,116-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,146-,147-,148-,149-,150-,151-,152-,153-/m0/s1

InChIKey

APWDFIKRRWAWRR-LENKVIEUSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131655