Nh2-arg-ile-asn-asn-ile-pro-trp-ser-glu-ala-met-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

C₂₀₇H₃₁₃N₅₃O₆₂S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CC=C(C=C8)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](CC9=CC=C(C=C9)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](CCCNC(=N)N)N

InChI

InChI=1S/C207H313N53O62S2/c1-19-102(10)164(254-172(289)119(210)40-34-80-221-206(217)218)201(318)251-146(93-154(214)269)193(310)247-147(94-155(215)270)196(313)258-168(106(14)23-5)205(322)260-82-36-47-150(260)199(316)248-144(91-113-97-225-122-43-29-26-39-118(113)122)191(308)253-149(99-262)198(315)238-128(58-68-156(271)272)173(290)226-107(15)171(288)228-136(76-83-323-17)184(301)245-143(90-112-96-224-121-42-28-25-38-117(112)121)190(307)239-137(77-84-324-18)183(300)233-132(62-72-160(279)280)180(297)244-142(89-111-95-223-120-41-27-24-37-116(111)120)189(306)236-130(60-70-158(275)276)178(295)229-126(46-35-81-222-207(219)220)174(291)234-135(65-75-163(285)286)186(303)256-165(103(11)20-2)200(317)241-134(64-74-162(283)284)181(298)246-145(92-153(213)268)192(309)243-141(88-110-50-54-115(265)55-51-110)195(312)259-169(108(16)263)204(321)240-124(44-30-32-78-208)175(292)242-139(86-101(8)9)194(311)257-167(105(13)22-4)203(320)250-140(87-109-48-52-114(264)53-49-109)188(305)230-125(45-31-33-79-209)185(302)255-166(104(12)21-3)202(319)249-138(85-100(6)7)187(304)235-131(61-71-159(277)278)179(296)232-133(63-73-161(281)282)182(299)252-148(98-261)197(314)237-127(57-67-152(212)267)177(294)231-129(59-69-157(273)274)176(293)227-123(170(216)287)56-66-151(211)266/h24-29,37-39,41-43,48-55,95-97,100-108,119,123-150,164-169,223-225,261-265H,19-23,30-36,40,44-47,56-94,98-99,208-210H2,1-18H3,(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,287)(H,226,290)(H,227,293)(H,228,288)(H,229,295)(H,230,305)(H,231,294)(H,232,296)(H,233,300)(H,234,291)(H,235,304)(H,236,306)(H,237,314)(H,238,315)(H,239,307)(H,240,321)(H,241,317)(H,242,292)(H,243,309)(H,244,297)(H,245,301)(H,246,298)(H,247,310)(H,248,316)(H,249,319)(H,250,320)(H,251,318)(H,252,299)(H,253,308)(H,254,289)(H,255,302)(H,256,303)(H,257,311)(H,258,313)(H,259,312)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,217,218,221)(H4,219,220,222)/t102-,103-,104-,105-,106-,107-,108+,119-,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-,149-,150-,164-,165-,166-,167-,168-,169-/m0/s1

InChIKey

UXTWVMVTGQGSMP-LARJROIHSA-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)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]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 16186565