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-leu-asp-lys-arg-glu-ala-leu-trp-arg-trp-phe-cooh

Structural Information

Molecular Formula

C₂₆₀H₃₉₈N₇₆O₇₆

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)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)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](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)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](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C260H398N76O76/c1-28-125(12)203(333-217(374)138(25)298-218(375)158(64-46-98-280-255(268)269)307-247(404)186(116-201(362)363)330-243(400)180(110-143-117-286-152-58-38-34-54-148(143)152)323-216(373)136(23)296-222(379)168(78-89-193(346)347)316-242(399)183(113-146-120-289-155-61-41-37-57-151(146)155)331-253(410)206(140(27)338)336-249(406)202(267)139(26)337)250(407)300-137(24)212(369)303-171(81-92-196(352)353)234(391)325-179(108-142-70-72-147(339)73-71-142)237(394)299-130(17)209(366)290-131(18)210(367)301-163(69-51-103-285-260(278)279)236(393)334-204(126(13)29-2)252(409)319-170(80-91-195(350)351)223(380)297-135(22)215(372)322-178(107-124(10)11)248(405)335-205(127(14)30-3)251(408)318-159(65-47-99-281-256(270)271)219(376)293-128(15)207(364)291-132(19)211(368)302-164(74-85-188(263)340)229(386)314-173(83-94-198(356)357)233(390)311-165(75-86-189(264)341)230(387)310-166(76-87-190(265)342)231(388)315-172(82-93-197(354)355)232(389)304-157(63-43-45-97-262)227(384)328-184(114-191(266)343)245(402)317-169(79-90-194(348)349)221(378)294-129(16)208(365)292-133(20)213(370)320-175(104-121(4)5)238(395)308-161(67-49-101-283-258(274)275)226(383)313-174(84-95-199(358)359)235(392)324-177(106-123(8)9)240(397)329-185(115-200(360)361)246(403)306-156(62-42-44-96-261)224(381)305-160(66-48-100-282-257(272)273)225(382)312-167(77-88-192(344)345)220(377)295-134(21)214(371)321-176(105-122(6)7)239(396)327-181(111-144-118-287-153-59-39-35-55-149(144)153)241(398)309-162(68-50-102-284-259(276)277)228(385)326-182(112-145-119-288-154-60-40-36-56-150(145)154)244(401)332-187(254(411)412)109-141-52-32-31-33-53-141/h31-41,52-61,70-73,117-140,156-187,202-206,286-289,337-339H,28-30,42-51,62-69,74-116,261-262,267H2,1-27H3,(H2,263,340)(H2,264,341)(H2,265,342)(H2,266,343)(H,290,366)(H,291,364)(H,292,365)(H,293,376)(H,294,378)(H,295,377)(H,296,379)(H,297,380)(H,298,375)(H,299,394)(H,300,407)(H,301,367)(H,302,368)(H,303,369)(H,304,389)(H,305,381)(H,306,403)(H,307,404)(H,308,395)(H,309,398)(H,310,387)(H,311,390)(H,312,382)(H,313,383)(H,314,386)(H,315,388)(H,316,399)(H,317,402)(H,318,408)(H,319,409)(H,320,370)(H,321,371)(H,322,372)(H,323,373)(H,324,392)(H,325,391)(H,326,385)(H,327,396)(H,328,384)(H,329,397)(H,330,400)(H,331,410)(H,332,401)(H,333,374)(H,334,393)(H,335,405)(H,336,406)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,411,412)(H4,268,269,280)(H4,270,271,281)(H4,272,273,282)(H4,274,275,283)(H4,276,277,284)(H4,278,279,285)/t125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139+,140+,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,202-,203-,204-,205-,206-/m0/s1

InChIKey

RSXGIOIQQMFIFB-FNAYSSIESA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(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]-5-oxopentanoic acid

Related CIDs

• CID 16134171