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

Structural Information

Molecular Formula

C₂₅₂H₃₈₄N₇₂O₇₃

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](C)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](CCC(=O)O)C(=O)N[C@@H](C)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=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/C252H384N72O73/c1-29-121(12)197(321-212(361)135(26)288-214(363)156(65-48-96-271-249(262)263)297-240(389)181(112-195(348)349)318-237(386)175(106-140-113-275-149-58-39-35-54-145(140)149)312-211(360)133(24)286-218(367)164(77-87-188(334)335)304-236(385)178(109-143-116-278-152-61-42-38-57-148(143)152)319-246(395)200(137(28)326)324-242(391)196(259)136(27)325)243(392)290-134(25)206(355)293-167(80-90-191(340)341)228(377)313-174(104-139-69-71-144(327)72-70-139)230(379)289-126(17)203(352)279-127(18)204(353)291-159(68-51-99-274-252(268)269)229(378)322-198(122(13)30-2)245(394)307-166(79-89-190(338)339)219(368)287-132(23)210(359)311-173(103-120(10)11)241(390)323-199(123(14)31-3)244(393)306-157(66-49-97-272-250(264)265)215(364)282-124(15)201(350)280-128(19)205(354)292-160(73-83-183(255)328)223(372)301-169(82-92-193(344)345)227(376)300-161(74-84-184(256)329)224(373)299-162(75-85-185(257)330)225(374)302-168(81-91-192(342)343)226(375)294-153(62-43-45-93-253)221(370)316-179(110-186(258)331)238(387)305-165(78-88-189(336)337)216(365)283-125(16)202(351)281-129(20)207(356)308-170(100-117(4)5)231(380)296-155(64-47-95-270-248(260)261)213(362)284-130(21)208(357)310-172(102-119(8)9)233(382)317-180(111-194(346)347)239(388)295-154(63-44-46-94-254)220(369)314-176(107-141-114-276-150-59-40-36-55-146(141)150)235(384)303-163(76-86-187(332)333)217(366)285-131(22)209(358)309-171(101-118(6)7)232(381)315-177(108-142-115-277-151-60-41-37-56-147(142)151)234(383)298-158(67-50-98-273-251(266)267)222(371)320-182(247(396)397)105-138-52-33-32-34-53-138/h32-42,52-61,69-72,113-137,153-182,196-200,275-278,325-327H,29-31,43-51,62-68,73-112,253-254,259H2,1-28H3,(H2,255,328)(H2,256,329)(H2,257,330)(H2,258,331)(H,279,352)(H,280,350)(H,281,351)(H,282,364)(H,283,365)(H,284,362)(H,285,366)(H,286,367)(H,287,368)(H,288,363)(H,289,379)(H,290,392)(H,291,353)(H,292,354)(H,293,355)(H,294,375)(H,295,388)(H,296,380)(H,297,389)(H,298,383)(H,299,373)(H,300,376)(H,301,372)(H,302,374)(H,303,384)(H,304,385)(H,305,387)(H,306,393)(H,307,394)(H,308,356)(H,309,358)(H,310,357)(H,311,359)(H,312,360)(H,313,377)(H,314,369)(H,315,381)(H,316,370)(H,317,382)(H,318,386)(H,319,395)(H,320,371)(H,321,361)(H,322,378)(H,323,390)(H,324,391)(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)(H,396,397)(H4,260,261,270)(H4,262,263,271)(H4,264,265,272)(H4,266,267,273)(H4,268,269,274)/t121-,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-,182-,196-,197-,198-,199-,200-/m0/s1

InChIKey

POHCVEVNNCVWGO-CNZMMLOVSA-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)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-phenylethyl]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]-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]-1-oxopropan-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 16134201