Nh2-gly-glu-lys-ala-ala-arg-gln-ala-glu-asn-ala-ala-arg-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-leu-cooh

Structural Information

Molecular Formula

C₂₃₉H₃₈₃N₇₇O₇₇

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](CC(C)C)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](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C239H383N77O77/c1-28-110(10)183(314-200(359)127(27)280-202(361)138(51-39-89-261-234(249)250)293-228(387)164(103-182(343)344)312-226(385)160(99-129-105-267-134-47-33-31-45-132(129)134)307-199(358)125(25)278-206(365)149(66-79-174(327)328)301-225(384)161(100-130-106-268-135-48-34-32-46-133(130)135)309-211(370)141(54-42-92-264-237(255)256)286-192(351)119(19)270-190(349)117(17)282-223(382)162(101-170(247)322)310-219(378)153(70-83-178(335)336)289-195(354)123(23)277-204(363)145(61-74-166(243)318)295-208(367)140(53-41-91-263-236(253)254)285-191(350)118(18)269-186(345)113(13)274-201(360)136(49-35-37-87-240)291-212(371)144(65-78-173(325)326)284-172(324)104-242)230(389)283-126(26)196(355)290-152(69-82-177(333)334)218(377)308-159(98-128-57-59-131(317)60-58-128)222(381)281-116(16)189(348)271-120(20)193(352)287-143(56-44-94-266-239(259)260)221(380)315-184(111(11)29-2)232(391)304-151(68-81-176(331)332)207(366)279-124(24)198(357)306-158(96-108(6)7)229(388)316-185(112(12)30-3)231(390)303-139(52-40-90-262-235(251)252)203(362)275-114(14)187(346)272-121(21)194(353)288-146(62-75-167(244)319)213(372)299-155(72-85-180(339)340)217(376)297-147(63-76-168(245)320)214(373)296-148(64-77-169(246)321)215(374)300-154(71-84-179(337)338)216(375)292-137(50-36-38-88-241)210(369)311-163(102-171(248)323)227(386)302-150(67-80-175(329)330)205(364)276-115(15)188(347)273-122(22)197(356)305-157(95-107(4)5)224(383)294-142(55-43-93-265-238(257)258)209(368)298-156(73-86-181(341)342)220(379)313-165(233(392)393)97-109(8)9/h31-34,45-48,57-60,105-127,136-165,183-185,267-268,317H,28-30,35-44,49-56,61-104,240-242H2,1-27H3,(H2,243,318)(H2,244,319)(H2,245,320)(H2,246,321)(H2,247,322)(H2,248,323)(H,269,345)(H,270,349)(H,271,348)(H,272,346)(H,273,347)(H,274,360)(H,275,362)(H,276,364)(H,277,363)(H,278,365)(H,279,366)(H,280,361)(H,281,381)(H,282,382)(H,283,389)(H,284,324)(H,285,350)(H,286,351)(H,287,352)(H,288,353)(H,289,354)(H,290,355)(H,291,371)(H,292,375)(H,293,387)(H,294,383)(H,295,367)(H,296,373)(H,297,376)(H,298,368)(H,299,372)(H,300,374)(H,301,384)(H,302,386)(H,303,390)(H,304,391)(H,305,356)(H,306,357)(H,307,358)(H,308,377)(H,309,370)(H,310,378)(H,311,369)(H,312,385)(H,313,379)(H,314,359)(H,315,380)(H,316,388)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,392,393)(H4,249,250,261)(H4,251,252,262)(H4,253,254,263)(H4,255,256,264)(H4,257,258,265)(H4,259,260,266)/t110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,183-,184-,185-/m0/s1

InChIKey

GPOHPQVRVQJTMQ-OKPXZBSESA-N

Compound name

(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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]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]-4-methylpentanoic acid

Related CIDs

• CID 16134174