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-ala-ala-arg-glu-ala-ala-trp-arg-trp-phe-cooh

Structural Information

Molecular Formula

C₂₅₃H₃₈₅N₇₅O₇₄

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](C)C(=O)N[C@@H](C)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](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/C253H385N75O74/c1-29-119(10)196(325-213(367)135(26)292-214(368)154(62-45-95-272-248(260)261)301-240(394)180(111-194(352)353)322-237(391)176(107-141-113-279-150-58-40-36-54-146(141)150)317-212(366)133(24)290-218(372)164(76-87-187(338)339)310-236(390)178(109-143-115-281-152-60-42-38-56-148(143)152)323-246(400)199(137(28)330)328-242(396)195(259)136(27)329)243(397)295-134(25)208(362)299-167(79-90-190(344)345)229(383)319-174(104-139-68-70-144(331)71-69-139)233(387)294-126(17)204(358)283-128(19)206(360)297-159(67-50-100-277-253(270)271)231(385)326-197(120(11)30-2)245(399)313-166(78-89-189(342)343)219(373)291-132(23)211(365)315-173(103-118(8)9)241(395)327-198(121(12)31-3)244(398)312-155(63-46-96-273-249(262)263)215(369)287-122(13)200(354)284-129(20)207(361)298-160(72-83-182(255)332)224(378)308-169(81-92-192(348)349)228(382)305-161(73-84-183(256)333)225(379)304-162(74-85-184(257)334)226(380)309-168(80-91-191(346)347)227(381)300-153(61-43-44-94-254)222(376)321-179(110-185(258)335)239(393)311-165(77-88-188(340)341)217(371)289-124(15)201(355)285-130(21)209(363)314-172(102-117(6)7)234(388)302-157(65-48-98-275-251(266)267)221(375)307-170(82-93-193(350)351)230(384)318-171(101-116(4)5)232(386)293-125(16)203(357)282-127(18)205(359)296-156(64-47-97-274-250(264)265)220(374)306-163(75-86-186(336)337)216(370)288-123(14)202(356)286-131(22)210(364)316-175(106-140-112-278-149-57-39-35-53-145(140)149)235(389)303-158(66-49-99-276-252(268)269)223(377)320-177(108-142-114-280-151-59-41-37-55-147(142)151)238(392)324-181(247(401)402)105-138-51-33-32-34-52-138/h32-42,51-60,68-71,112-137,153-181,195-199,278-281,329-331H,29-31,43-50,61-67,72-111,254,259H2,1-28H3,(H2,255,332)(H2,256,333)(H2,257,334)(H2,258,335)(H,282,357)(H,283,358)(H,284,354)(H,285,355)(H,286,356)(H,287,369)(H,288,370)(H,289,371)(H,290,372)(H,291,373)(H,292,368)(H,293,386)(H,294,387)(H,295,397)(H,296,359)(H,297,360)(H,298,361)(H,299,362)(H,300,381)(H,301,394)(H,302,388)(H,303,389)(H,304,379)(H,305,382)(H,306,374)(H,307,375)(H,308,378)(H,309,380)(H,310,390)(H,311,393)(H,312,398)(H,313,399)(H,314,363)(H,315,365)(H,316,364)(H,317,366)(H,318,384)(H,319,383)(H,320,377)(H,321,376)(H,322,391)(H,323,400)(H,324,392)(H,325,367)(H,326,385)(H,327,395)(H,328,396)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,401,402)(H4,260,261,272)(H4,262,263,273)(H4,264,265,274)(H4,266,267,275)(H4,268,269,276)(H4,270,271,277)/t119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136+,137+,153-,154-,155-,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-,195-,196-,197-,198-,199-/m0/s1

InChIKey

PCNLXOXXUHMJOK-URYPQRRRSA-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)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-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 16134170