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

Structural Information

Molecular Formula

C₂₄₃H₃₆₅N₆₅O₈₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=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](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC8=CN=CN8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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](CC(=O)N)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C

InChI

InChI=1S/C243H365N65O85S/c1-23-113(15)193(237(388)283-147(61-77-189(342)343)209(360)274-146(60-76-188(340)341)215(366)302-169(106-310)236(387)281-137(51-67-173(248)318)210(361)293-162(95-176(251)321)225(376)276-136(50-66-172(247)317)204(355)268-134(48-64-170(245)315)202(353)271-139(53-69-181(326)327)205(356)266-132(42-33-34-81-244)201(352)292-161(94-175(250)320)226(377)280-142(56-72-184(332)333)206(357)269-135(49-65-171(246)316)203(354)272-143(57-73-185(334)335)211(362)286-153(86-110(9)10)220(371)285-151(199(256)350)84-108(5)6)305-232(383)154(87-111(11)12)287-212(363)145(59-75-187(338)339)279-224(375)160(93-124-104-259-107-264-124)300-239(390)196(116(18)26-4)306-233(384)155(88-112(13)14)288-214(365)148(62-78-190(344)345)284-241(392)197(117(19)311)308-234(385)156(89-120-44-46-125(314)47-45-120)290-228(379)164(97-178(253)323)296-230(381)166(99-180(255)325)301-240(391)195(115(17)25-3)304-217(368)149(63-79-191(346)347)275-200(351)133(43-35-82-260-243(257)258)267-231(382)167(100-192(348)349)297-222(373)157(90-121-101-261-129-39-30-27-36-126(121)129)291-213(364)144(58-74-186(336)337)273-208(359)141(55-71-183(330)331)278-221(372)158(91-122-102-262-130-40-31-28-37-127(122)130)299-242(393)198(118(20)312)307-218(369)150(80-83-394-22)282-227(378)163(96-177(252)322)295-229(380)165(98-179(254)324)294-223(374)159(92-123-103-263-131-41-32-29-38-128(123)131)298-238(389)194(114(16)24-2)303-216(367)138(52-68-174(249)319)270-207(358)140(54-70-182(328)329)277-219(370)152(85-109(7)8)289-235(386)168(105-309)265-119(21)313/h27-32,36-41,44-47,101-104,107-118,132-169,193-198,261-263,309-312,314H,23-26,33-35,42-43,48-100,105-106,244H2,1-22H3,(H2,245,315)(H2,246,316)(H2,247,317)(H2,248,318)(H2,249,319)(H2,250,320)(H2,251,321)(H2,252,322)(H2,253,323)(H2,254,324)(H2,255,325)(H2,256,350)(H,259,264)(H,265,313)(H,266,356)(H,267,382)(H,268,355)(H,269,357)(H,270,358)(H,271,353)(H,272,354)(H,273,359)(H,274,360)(H,275,351)(H,276,376)(H,277,370)(H,278,372)(H,279,375)(H,280,377)(H,281,387)(H,282,378)(H,283,388)(H,284,392)(H,285,371)(H,286,362)(H,287,363)(H,288,365)(H,289,386)(H,290,379)(H,291,364)(H,292,352)(H,293,361)(H,294,374)(H,295,380)(H,296,381)(H,297,373)(H,298,389)(H,299,393)(H,300,390)(H,301,391)(H,302,366)(H,303,367)(H,304,368)(H,305,383)(H,306,384)(H,307,369)(H,308,385)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H4,257,258,260)/t113-,114-,115-,116-,117+,118+,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-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,193-,194-,195-,196-,197-,198-/m0/s1

InChIKey

FJQAGIIXUPJGJU-ZHWILKPJSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131996