Nh2-pro-ala-asn-trp-lys-ala-trp-glu-ala-gln-ile-gln-lys-tyr-gln-arg-gln-ile-ala-glu-leu-ile-ala-asn-ala-lys-lys-gln-gln-glu-gln-asn-glu-lys-ala-leu-arg-glu-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₃₇H₃₅₇N₆₇O₆₆

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](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)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](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C237H357N67O66/c1-18-118(8)191(302-221(355)157(73-86-181(249)312)283-207(341)149(61-43-99-258-236(253)254)277-210(344)153(69-82-177(245)308)286-224(358)166(103-129-63-65-134(305)66-64-129)296-209(343)148(59-36-41-97-242)276-213(347)155(71-84-179(247)310)290-234(368)193(120(10)20-3)303-220(354)156(72-85-180(248)311)272-195(329)121(11)267-204(338)158(74-87-185(316)317)287-225(359)167(105-130-112-260-139-51-28-24-47-135(130)139)292-198(332)125(15)266-203(337)145(56-33-38-94-239)278-226(360)169(107-132-114-262-141-53-30-26-49-137(132)141)299-230(364)172(110-183(251)314)294-199(333)123(13)264-201(335)143-60-42-98-257-143)232(366)269-126(16)196(330)273-159(75-88-186(318)319)217(351)295-165(102-117(6)7)231(365)304-192(119(9)19-2)233(367)270-127(17)200(334)293-171(109-182(250)313)222(356)268-122(12)194(328)271-146(57-34-39-95-240)205(339)275-147(58-35-40-96-241)206(340)280-151(67-80-175(243)306)211(345)281-152(68-81-176(244)307)212(346)285-160(76-89-187(320)321)215(349)282-154(70-83-178(246)309)216(350)300-173(111-184(252)315)229(363)289-161(77-90-188(322)323)214(348)274-144(55-32-37-93-238)202(336)265-124(14)197(331)291-164(101-116(4)5)223(357)279-150(62-44-100-259-237(255)256)208(342)284-162(78-91-189(324)325)218(352)297-168(106-131-113-261-140-52-29-25-48-136(131)140)227(361)288-163(79-92-190(326)327)219(353)298-170(108-133-115-263-142-54-31-27-50-138(133)142)228(362)301-174(235(369)370)104-128-45-22-21-23-46-128/h21-31,45-54,63-66,112-127,143-174,191-193,257,260-263,305H,18-20,32-44,55-62,67-111,238-242H2,1-17H3,(H2,243,306)(H2,244,307)(H2,245,308)(H2,246,309)(H2,247,310)(H2,248,311)(H2,249,312)(H2,250,313)(H2,251,314)(H2,252,315)(H,264,335)(H,265,336)(H,266,337)(H,267,338)(H,268,356)(H,269,366)(H,270,367)(H,271,328)(H,272,329)(H,273,330)(H,274,348)(H,275,339)(H,276,347)(H,277,344)(H,278,360)(H,279,357)(H,280,340)(H,281,345)(H,282,349)(H,283,341)(H,284,342)(H,285,346)(H,286,358)(H,287,359)(H,288,361)(H,289,363)(H,290,368)(H,291,331)(H,292,332)(H,293,334)(H,294,333)(H,295,351)(H,296,343)(H,297,352)(H,298,353)(H,299,364)(H,300,350)(H,301,362)(H,302,355)(H,303,354)(H,304,365)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,369,370)(H4,253,254,258)(H4,255,256,259)/t118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,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-,170-,171-,172-,173-,174-,191-,192-,193-/m0/s1

InChIKey

OMDYABPIUBYKGR-MXZVMNOASA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134209