Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-trp-glu-trp-ile-cooh

Structural Information

Molecular Formula

C₂₂₀H₃₃₂N₆₂O₆₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C220H332N62O67/c1-25-102(9)171(278-185(317)115(22)250-186(318)133(52-39-83-235-217(227)228)257-208(340)156(95-169(306)307)276-206(338)151(90-119-96-239-128-47-33-29-43-124(119)128)271-184(316)113(20)248-189(321)140(63-74-161(290)291)264-205(337)153(92-121-98-241-130-49-35-31-45-126(121)130)277-215(347)175(117(24)284)282-211(343)170(226)116(23)283)212(344)252-114(21)181(313)255-143(66-77-164(296)297)198(330)272-150(89-118-56-58-123(285)59-57-118)202(334)251-108(15)178(310)243-109(16)179(311)253-136(55-42-86-238-220(233)234)201(333)279-172(103(10)26-2)214(346)268-142(65-76-163(294)295)190(322)249-112(19)183(315)270-149(88-101(7)8)209(341)280-173(104(11)27-3)213(345)267-134(53-40-84-236-218(229)230)187(319)246-106(13)176(308)244-110(17)180(312)254-137(60-71-157(222)286)193(325)262-145(68-79-166(300)301)197(329)260-138(61-72-158(223)287)194(326)259-139(62-73-159(224)288)195(327)263-144(67-78-165(298)299)196(328)256-132(51-37-38-82-221)192(324)275-155(94-160(225)289)207(339)265-141(64-75-162(292)293)188(320)247-107(14)177(309)245-111(18)182(314)269-148(87-100(5)6)203(335)258-135(54-41-85-237-219(231)232)191(323)261-146(69-80-167(302)303)199(331)273-152(91-120-97-240-129-48-34-30-44-125(120)129)204(336)266-147(70-81-168(304)305)200(332)274-154(210(342)281-174(216(348)349)105(12)28-4)93-122-99-242-131-50-36-32-46-127(122)131/h29-36,43-50,56-59,96-117,132-156,170-175,239-242,283-285H,25-28,37-42,51-55,60-95,221,226H2,1-24H3,(H2,222,286)(H2,223,287)(H2,224,288)(H2,225,289)(H,243,310)(H,244,308)(H,245,309)(H,246,319)(H,247,320)(H,248,321)(H,249,322)(H,250,318)(H,251,334)(H,252,344)(H,253,311)(H,254,312)(H,255,313)(H,256,328)(H,257,340)(H,258,335)(H,259,326)(H,260,329)(H,261,323)(H,262,325)(H,263,327)(H,264,337)(H,265,339)(H,266,336)(H,267,345)(H,268,346)(H,269,314)(H,270,315)(H,271,316)(H,272,330)(H,273,331)(H,274,332)(H,275,324)(H,276,338)(H,277,347)(H,278,317)(H,279,333)(H,280,341)(H,281,342)(H,282,343)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,348,349)(H4,227,228,235)(H4,229,230,236)(H4,231,232,237)(H4,233,234,238)/t102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116+,117+,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,170-,171-,172-,173-,174-,175-/m0/s1

InChIKey

XCKZNGJCNSXAQA-HCFIASFMSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16134192