Wqtwerqvnfadanitkaleeaqiqneknmyelqaldkwasawnwf

Structural Information

Molecular Formula

C₂₅₆H₃₆₉N₆₇O₇₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=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](CCSC)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](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](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)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](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)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](CCC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C256H369N67O75S/c1-23-124(11)206(320-231(373)161(72-82-190(263)330)286-210(352)126(13)280-220(362)164(75-85-198(338)339)292-226(368)167(78-88-201(344)345)294-236(378)170(96-120(3)4)301-211(353)127(14)279-218(360)155(62-41-44-91-257)299-253(395)209(134(21)326)323-252(394)207(125(12)24-2)321-248(390)183(111-197(270)337)304-214(356)129(16)284-235(377)184(112-203(348)349)305-215(357)130(17)282-233(375)173(99-135-48-27-25-28-49-135)308-246(388)182(110-196(269)336)316-250(392)205(123(9)10)319-230(372)163(74-84-192(265)332)291-221(363)158(65-47-94-273-256(271)272)289-225(367)165(76-86-199(340)341)296-240(382)178(106-142-118-278-154-61-40-35-56-148(142)154)315-254(396)208(133(20)325)322-232(374)162(73-83-191(264)331)287-217(359)149(260)102-138-114-274-150-57-36-31-52-144(138)150)251(393)300-160(71-81-189(262)329)227(369)312-179(107-193(266)333)243(385)297-166(77-87-200(342)343)224(366)288-156(63-42-45-92-258)223(365)311-180(108-194(267)334)244(386)298-169(90-95-399-22)229(371)307-174(100-137-66-68-143(327)69-67-137)239(381)295-168(79-89-202(346)347)228(370)306-172(98-122(7)8)237(379)293-159(70-80-188(261)328)219(361)281-128(15)212(354)302-171(97-121(5)6)238(380)314-185(113-204(350)351)247(389)290-157(64-43-46-93-259)222(364)309-175(103-139-115-275-151-58-37-32-53-145(139)151)234(376)283-132(19)216(358)318-187(119-324)249(391)285-131(18)213(355)303-176(104-140-116-276-152-59-38-33-54-146(140)152)241(383)313-181(109-195(268)335)245(387)310-177(105-141-117-277-153-60-39-34-55-147(141)153)242(384)317-186(255(397)398)101-136-50-29-26-30-51-136/h25-40,48-61,66-69,114-118,120-134,149,155-187,205-209,274-278,324-327H,23-24,41-47,62-65,70-113,119,257-260H2,1-22H3,(H2,261,328)(H2,262,329)(H2,263,330)(H2,264,331)(H2,265,332)(H2,266,333)(H2,267,334)(H2,268,335)(H2,269,336)(H2,270,337)(H,279,360)(H,280,362)(H,281,361)(H,282,375)(H,283,376)(H,284,377)(H,285,391)(H,286,352)(H,287,359)(H,288,366)(H,289,367)(H,290,389)(H,291,363)(H,292,368)(H,293,379)(H,294,378)(H,295,381)(H,296,382)(H,297,385)(H,298,386)(H,299,395)(H,300,393)(H,301,353)(H,302,354)(H,303,355)(H,304,356)(H,305,357)(H,306,370)(H,307,371)(H,308,388)(H,309,364)(H,310,387)(H,311,365)(H,312,369)(H,313,383)(H,314,380)(H,315,396)(H,316,392)(H,317,384)(H,318,358)(H,319,372)(H,320,373)(H,321,390)(H,322,374)(H,323,394)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H4,271,272,273)/t124-,125-,126-,127-,128-,129-,130-,131-,132-,133+,134+,149-,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-,205-,206-,207-,208-,209-/m0/s1

InChIKey

PWDRQGNWQCRLDK-MIFWWGDPSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-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-oxopropan-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-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597092