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

Structural Information

Molecular Formula

C₂₆₀H₃₉₈N₇₆O₇₇

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](CO)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/C260H398N76O77/c1-27-125(12)203(333-216(374)137(24)297-217(375)157(63-45-97-280-255(268)269)306-246(404)185(115-201(363)364)329-242(400)179(109-142-116-286-151-57-37-33-53-147(142)151)321-215(373)135(22)295-220(378)166(76-87-192(345)346)315-241(399)182(112-145-119-289-154-60-40-36-56-150(145)154)330-253(411)206(139(26)339)336-249(407)202(267)138(25)338)250(408)299-136(23)212(370)302-169(79-90-195(351)352)232(390)324-178(107-141-69-71-146(340)72-70-141)236(394)298-130(17)209(367)290-131(18)210(368)300-162(68-50-102-285-260(278)279)235(393)334-204(126(13)28-2)252(410)318-168(78-89-194(349)350)221(379)296-134(21)214(372)320-177(106-124(10)11)247(405)335-205(127(14)29-3)251(409)317-158(64-46-98-281-256(270)271)218(376)293-128(15)207(365)291-132(19)211(369)301-163(73-84-188(263)341)227(385)313-171(81-92-197(355)356)231(389)310-164(74-85-189(264)342)228(386)309-165(75-86-190(265)343)229(387)314-170(80-91-196(353)354)230(388)303-156(62-42-44-96-262)225(383)327-183(113-191(266)344)244(402)316-167(77-88-193(347)348)219(377)294-129(16)208(366)292-133(20)213(371)319-174(103-121(4)5)237(395)307-160(66-48-100-283-258(274)275)224(382)311-172(82-93-198(357)358)233(391)322-175(104-122(6)7)239(397)328-184(114-200(361)362)245(403)305-155(61-41-43-95-261)222(380)304-159(65-47-99-282-257(272)273)223(381)312-173(83-94-199(359)360)234(392)332-187(120-337)248(406)323-176(105-123(8)9)238(396)326-180(110-143-117-287-152-58-38-34-54-148(143)152)240(398)308-161(67-49-101-284-259(276)277)226(384)325-181(111-144-118-288-153-59-39-35-55-149(144)153)243(401)331-186(254(412)413)108-140-51-31-30-32-52-140/h30-40,51-60,69-72,116-119,121-139,155-187,202-206,286-289,337-340H,27-29,41-50,61-68,73-115,120,261-262,267H2,1-26H3,(H2,263,341)(H2,264,342)(H2,265,343)(H2,266,344)(H,290,367)(H,291,365)(H,292,366)(H,293,376)(H,294,377)(H,295,378)(H,296,379)(H,297,375)(H,298,394)(H,299,408)(H,300,368)(H,301,369)(H,302,370)(H,303,388)(H,304,380)(H,305,403)(H,306,404)(H,307,395)(H,308,398)(H,309,386)(H,310,389)(H,311,382)(H,312,381)(H,313,385)(H,314,387)(H,315,399)(H,316,402)(H,317,409)(H,318,410)(H,319,371)(H,320,372)(H,321,373)(H,322,391)(H,323,406)(H,324,390)(H,325,384)(H,326,396)(H,327,383)(H,328,397)(H,329,400)(H,330,411)(H,331,401)(H,332,392)(H,333,374)(H,334,393)(H,335,405)(H,336,407)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,412,413)(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+,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-,183-,184-,185-,186-,187-,202-,203-,204-,205-,206-/m0/s1

InChIKey

YTXJWHKDLHZRCT-YXBQGBNXSA-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]-3-hydroxy-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 16134172