Nh2-asn-glu-lys-asp-leu-leu-glu-trp-met-glu-trp-glu-arg-glu-ile-glu-asn-tyr-thr-lys-leu-ile-tyr-lys-ile-leu-glu-glu-ser-gln-glu-gln-nh2

Structural Information

Molecular Formula

C₁₈₅H₂₈₃N₄₅O₆₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C185H283N45O60S/c1-17-93(12)149(228-169(275)122(57-68-147(255)256)208-155(261)112(38-30-73-197-185(195)196)203-161(267)116(51-62-141(243)244)211-174(280)130(81-99-86-198-106-33-22-20-31-103(99)106)220-163(269)118(53-64-143(247)248)207-167(273)123(69-74-291-16)213-175(281)131(82-100-87-199-107-34-23-21-32-104(100)107)221-164(270)119(54-65-144(249)250)210-170(276)124(75-89(4)5)217-172(278)125(76-90(6)7)218-177(283)133(85-148(257)258)223-156(262)109(35-24-27-70-186)202-160(266)114(49-60-139(239)240)201-154(260)105(189)83-137(192)237)181(287)215-121(56-67-146(253)254)165(271)222-132(84-138(193)238)176(282)219-129(80-98-41-45-102(234)46-42-98)179(285)230-152(96(15)232)184(290)214-110(36-25-28-71-187)157(263)216-127(78-92(10)11)178(284)229-151(95(14)19-3)183(289)225-128(79-97-39-43-101(233)44-40-97)173(279)204-111(37-26-29-72-188)168(274)227-150(94(13)18-2)182(288)224-126(77-91(8)9)171(277)209-117(52-63-142(245)246)162(268)206-120(55-66-145(251)252)166(272)226-134(88-231)180(286)212-113(48-59-136(191)236)159(265)205-115(50-61-140(241)242)158(264)200-108(153(194)259)47-58-135(190)235/h20-23,31-34,39-46,86-87,89-96,105,108-134,149-152,198-199,231-234H,17-19,24-30,35-38,47-85,88,186-189H2,1-16H3,(H2,190,235)(H2,191,236)(H2,192,237)(H2,193,238)(H2,194,259)(H,200,264)(H,201,260)(H,202,266)(H,203,267)(H,204,279)(H,205,265)(H,206,268)(H,207,273)(H,208,261)(H,209,277)(H,210,276)(H,211,280)(H,212,286)(H,213,281)(H,214,290)(H,215,287)(H,216,263)(H,217,278)(H,218,283)(H,219,282)(H,220,269)(H,221,270)(H,222,271)(H,223,262)(H,224,288)(H,225,289)(H,226,272)(H,227,274)(H,228,275)(H,229,284)(H,230,285)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H4,195,196,197)/t93-,94-,95-,96+,105-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,149-,150-,151-,152-/m0/s1

InChIKey

MUPIEPFRLXWHMM-RUGVHOAJSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186564