Ac-gsnntegsdt itlpcrikqi inmwqevgka myappisgqi rc-nh2

Structural Information

Molecular Formula

C₂₀₀H₃₂₆N₅₈O₆₂S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)C

InChI

InChI=1S/C200H326N58O62S4/c1-25-95(11)152(247-171(293)115(47-38-70-215-200(212)213)228-183(305)134(92-322)245-184(306)135-48-39-71-256(135)197(319)129(76-93(7)8)242-194(316)159(104(20)263)255-192(314)157(100(16)30-6)252-195(317)160(105(21)264)254-180(302)128(82-150(281)282)240-182(304)132(90-261)226-147(276)86-218-163(285)116(58-63-148(277)278)235-193(315)158(103(19)262)253-179(301)127(81-143(208)272)238-178(300)125(79-141(206)270)239-181(303)131(89-260)225-144(273)84-216-106(22)265)187(309)233-113(45-34-36-68-202)166(288)229-119(57-62-140(205)269)174(296)249-156(99(15)29-5)191(313)251-155(98(14)28-4)189(311)241-126(80-142(207)271)177(299)232-122(66-75-324-24)170(292)237-124(78-108-83-217-111-43-32-31-42-110(108)111)176(298)231-118(56-61-139(204)268)168(290)230-120(59-64-149(279)280)173(295)246-151(94(9)10)186(308)220-87-146(275)223-112(44-33-35-67-201)165(287)221-101(17)162(284)227-121(65-74-323-23)169(291)236-123(77-107-51-53-109(266)54-52-107)175(297)222-102(18)196(318)258-73-41-50-137(258)198(320)257-72-40-49-136(257)185(307)250-154(97(13)27-3)190(312)243-130(88-259)164(286)219-85-145(274)224-117(55-60-138(203)267)172(294)248-153(96(12)26-2)188(310)234-114(46-37-69-214-199(210)211)167(289)244-133(91-321)161(209)283/h31-32,42-43,51-54,83,93-105,112-137,151-160,217,259-264,266,321-322H,25-30,33-41,44-50,55-82,84-92,201-202H2,1-24H3,(H2,203,267)(H2,204,268)(H2,205,269)(H2,206,270)(H2,207,271)(H2,208,272)(H2,209,283)(H,216,265)(H,218,285)(H,219,286)(H,220,308)(H,221,287)(H,222,297)(H,223,275)(H,224,274)(H,225,273)(H,226,276)(H,227,284)(H,228,305)(H,229,288)(H,230,290)(H,231,298)(H,232,299)(H,233,309)(H,234,310)(H,235,315)(H,236,291)(H,237,292)(H,238,300)(H,239,303)(H,240,304)(H,241,311)(H,242,316)(H,243,312)(H,244,289)(H,245,306)(H,246,295)(H,247,293)(H,248,294)(H,249,296)(H,250,307)(H,251,313)(H,252,317)(H,253,301)(H,254,302)(H,255,314)(H,277,278)(H,279,280)(H,281,282)(H4,210,211,214)(H4,212,213,215)/t95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-/m0/s1

InChIKey

IZELYQADUFKMNT-JRYIZXFXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204872