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-trp-ser-leu-trp-arg-trp-phe-cooh

Structural Information

Molecular Formula

C₂₆₀H₃₈₉N₇₃O₇₄

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](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)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](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C260H389N73O74/c1-27-126(12)205(330-218(369)138(24)295-219(370)161(66-47-97-278-256(268)269)303-247(398)188(115-203(358)359)326-242(393)181(108-143-116-283-154-59-38-33-54-149(143)154)317-217(368)136(22)293-222(373)169(78-88-195(342)343)311-241(392)185(112-147-120-287-158-63-42-37-58-153(147)158)327-254(405)208(140(26)336)333-250(401)204(267)139(25)335)251(402)297-137(23)214(365)300-172(81-91-198(348)349)233(384)320-180(106-142-71-73-148(337)74-72-142)236(387)296-131(17)211(362)288-132(18)212(363)298-165(70-51-101-282-260(276)277)235(386)331-206(127(13)28-2)253(404)314-171(80-90-197(346)347)223(374)294-135(21)216(367)316-179(105-125(10)11)248(399)332-207(128(14)29-3)252(403)313-162(67-48-98-279-257(270)271)220(371)291-129(15)209(360)289-133(19)213(364)299-166(75-85-191(263)338)228(379)309-174(83-93-200(352)353)232(383)307-167(76-86-192(264)339)229(380)306-168(77-87-193(265)340)230(381)310-173(82-92-199(350)351)231(382)301-159(64-43-45-95-261)226(377)324-186(113-194(266)341)245(396)312-170(79-89-196(344)345)221(372)292-130(16)210(361)290-134(20)215(366)315-176(102-122(4)5)237(388)304-163(68-49-99-280-258(272)273)224(375)308-175(84-94-201(354)355)234(385)318-177(103-123(6)7)239(390)325-187(114-202(356)357)246(397)302-160(65-44-46-96-262)225(376)322-184(111-146-119-286-157-62-41-36-57-152(146)157)244(395)329-190(121-334)249(400)319-178(104-124(8)9)238(389)323-182(109-144-117-284-155-60-39-34-55-150(144)155)240(391)305-164(69-50-100-281-259(274)275)227(378)321-183(110-145-118-285-156-61-40-35-56-151(145)156)243(394)328-189(255(406)407)107-141-52-31-30-32-53-141/h30-42,52-63,71-74,116-120,122-140,159-190,204-208,283-287,334-337H,27-29,43-51,64-70,75-115,121,261-262,267H2,1-26H3,(H2,263,338)(H2,264,339)(H2,265,340)(H2,266,341)(H,288,362)(H,289,360)(H,290,361)(H,291,371)(H,292,372)(H,293,373)(H,294,374)(H,295,370)(H,296,387)(H,297,402)(H,298,363)(H,299,364)(H,300,365)(H,301,382)(H,302,397)(H,303,398)(H,304,388)(H,305,391)(H,306,380)(H,307,383)(H,308,375)(H,309,379)(H,310,381)(H,311,392)(H,312,396)(H,313,403)(H,314,404)(H,315,366)(H,316,367)(H,317,368)(H,318,385)(H,319,400)(H,320,384)(H,321,378)(H,322,376)(H,323,389)(H,324,377)(H,325,390)(H,326,393)(H,327,405)(H,328,394)(H,329,395)(H,330,369)(H,331,386)(H,332,399)(H,333,401)(H,342,343)(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,406,407)(H4,268,269,278)(H4,270,271,279)(H4,272,273,280)(H4,274,275,281)(H4,276,277,282)/t126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139+,140+,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-,188-,189-,190-,204-,205-,206-,207-,208-/m0/s1

InChIKey

XJELHHHMIPPVRD-WIWPTXFZSA-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)-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]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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 16134200