Pacap

Structural Information

Molecular Formula

C₁₉₉H₃₂₂N₆₀O₅₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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](CCCCN)C(=O)NCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C199H322N60O53S/c1-18-107(12)160(255-154(273)97-224-169(285)144(92-155(274)275)248-190(306)146(98-260)252-166(282)122(207)90-117-94-218-101-225-117)195(311)250-142(85-112-39-20-19-21-40-112)188(304)259-161(111(16)263)196(312)251-145(93-156(276)277)187(303)254-148(100-262)191(307)246-141(89-116-57-65-121(267)66-58-116)185(301)253-147(99-261)189(305)237-131(49-37-80-220-198(214)215)177(293)244-139(87-114-53-61-119(265)62-54-114)183(299)236-130(48-36-79-219-197(212)213)174(290)232-125(43-24-31-74-202)171(287)239-134(68-70-150(209)269)179(295)240-135(71-82-313-17)170(286)227-110(15)165(281)256-157(104(6)7)192(308)241-128(46-27-34-77-205)173(289)233-127(45-26-33-76-204)175(291)245-140(88-115-55-63-120(266)64-56-115)184(300)243-137(84-103(4)5)181(297)228-108(13)163(279)226-109(14)164(280)257-158(105(8)9)194(310)249-136(83-102(2)3)168(284)223-95-152(271)229-124(42-23-30-73-201)167(283)222-96-153(272)230-138(86-113-51-59-118(264)60-52-113)182(298)235-126(44-25-32-75-203)172(288)238-133(67-69-149(208)268)178(294)234-132(50-38-81-221-199(216)217)180(296)258-159(106(10)11)193(309)242-129(47-28-35-78-206)176(292)247-143(91-151(210)270)186(302)231-123(162(211)278)41-22-29-72-200/h19-21,39-40,51-66,94,101-111,122-148,157-161,260-267H,18,22-38,41-50,67-93,95-100,200-207H2,1-17H3,(H2,208,268)(H2,209,269)(H2,210,270)(H2,211,278)(H,218,225)(H,222,283)(H,223,284)(H,224,285)(H,226,279)(H,227,286)(H,228,297)(H,229,271)(H,230,272)(H,231,302)(H,232,290)(H,233,289)(H,234,294)(H,235,298)(H,236,299)(H,237,305)(H,238,288)(H,239,287)(H,240,295)(H,241,308)(H,242,309)(H,243,300)(H,244,293)(H,245,291)(H,246,307)(H,247,292)(H,248,306)(H,249,310)(H,250,311)(H,251,312)(H,252,282)(H,253,301)(H,254,303)(H,255,273)(H,256,281)(H,257,280)(H,258,296)(H,259,304)(H,274,275)(H,276,277)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t107-,108-,109-,110-,111+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,157-,158-,159-,160-,161-/m0/s1

InChIKey

SIOKKMOWMDCVKB-RGBLINGASA-N

Compound name

(3S)-4-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 133082079