Ac-trp-gln-glu-trp-glu-gln-lys-ile-thr-ala-leu-ile-glu-gln-ala-gln-ile-gln-gln-glu-lys-asn-glu-tyr-glu-leu-gln-lys-leu-asp-lys-trp-ala-ser-leu-trp-glu-trp-phe-lys( n~6~-[[2-[2-[[3-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]acetyl]-)-c(=o)nh2

Structural Information

Molecular Formula

C₂₅₅H₃₆₉N₆₁O₇₅

SMILES

CC[C@H](C)[C@@H](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](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)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](C)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](CCC(=O)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN9C(=O)C=CC9=O)C(=O)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C255H369N61O75/c1-20-132(12)211(312-237(371)169(73-87-197(266)327)281-217(351)135(15)276-220(354)163(67-81-191(260)321)286-231(365)176(80-96-209(345)346)298-253(387)212(133(13)21-2)314-250(384)180(111-131(10)11)299-218(352)137(17)278-255(389)214(138(18)318)315-254(388)213(134(14)22-3)313-236(370)162(62-39-44-101-259)284-224(358)164(68-82-192(261)322)288-230(364)171(75-91-204(335)336)294-245(379)185(116-144-123-273-155-55-33-28-50-150(144)155)306-234(368)172(76-92-205(337)338)290-227(361)167(71-85-195(264)325)292-244(378)183(279-139(19)319)114-142-121-271-153-53-31-26-48-148(142)153)252(386)297-168(72-86-196(265)326)228(362)287-165(69-83-193(262)323)226(360)289-170(74-90-203(333)334)229(363)283-160(60-37-42-99-257)223(357)309-188(119-198(267)328)248(382)296-174(78-94-207(341)342)233(367)303-182(113-141-63-65-147(320)66-64-141)243(377)293-173(77-93-206(339)340)232(366)301-177(108-128(4)5)239(373)291-166(70-84-194(263)324)225(359)282-159(59-36-41-98-256)221(355)300-178(109-129(6)7)241(375)310-189(120-210(347)348)249(383)285-161(61-38-43-100-258)222(356)305-184(115-143-122-272-154-54-32-27-49-149(143)154)238(372)277-136(16)219(353)311-190(126-317)251(385)302-179(110-130(8)9)240(374)308-186(117-145-124-274-156-56-34-29-51-151(145)156)246(380)295-175(79-95-208(343)344)235(369)307-187(118-146-125-275-157-57-35-30-52-152(146)157)247(381)304-181(112-140-46-24-23-25-47-140)242(376)280-158(215(349)216(268)350)58-40-45-102-269-200(330)127-391-107-106-390-105-103-270-199(329)97-104-316-201(331)88-89-202(316)332/h23-35,46-57,63-66,88-89,121-125,128-138,158-190,211-214,271-275,317-318,320H,20-22,36-45,58-62,67-87,90-120,126-127,256-259H2,1-19H3,(H2,260,321)(H2,261,322)(H2,262,323)(H2,263,324)(H2,264,325)(H2,265,326)(H2,266,327)(H2,267,328)(H2,268,350)(H,269,330)(H,270,329)(H,276,354)(H,277,372)(H,278,389)(H,279,319)(H,280,376)(H,281,351)(H,282,359)(H,283,363)(H,284,358)(H,285,383)(H,286,365)(H,287,362)(H,288,364)(H,289,360)(H,290,361)(H,291,373)(H,292,378)(H,293,377)(H,294,379)(H,295,380)(H,296,382)(H,297,386)(H,298,387)(H,299,352)(H,300,355)(H,301,366)(H,302,385)(H,303,367)(H,304,381)(H,305,356)(H,306,368)(H,307,369)(H,308,374)(H,309,357)(H,310,375)(H,311,353)(H,312,371)(H,313,370)(H,314,384)(H,315,388)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)/t132-,133-,134-,135-,136-,137-,138+,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-,188-,189-,190-,211-,212-,213-,214-/m0/s1

InChIKey

YXZRSWJFHSKIKT-SIRRUIRXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-amino-7-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1,2-dioxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-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]-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]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132001