Wqtwerqvdnitqtiskaleeaqiqneknmyelqklnqwdifsnwf

Structural Information

Molecular Formula

C₂₅₉H₃₈₄N₆₈O₇₉S

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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)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](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)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](CC(=O)O)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](CC8=CNC9=CC=CC=C98)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/C259H384N68O79S/c1-23-125(13)206(321-230(377)158(71-83-189(267)337)285-213(360)129(17)284-217(364)162(75-87-198(346)347)292-224(371)165(78-90-201(352)353)295-233(380)168(98-121(5)6)302-214(361)130(18)283-216(363)151(60-41-44-93-260)290-248(395)185(120-329)319-253(400)208(127(15)25-3)324-257(404)212(133(21)332)326-232(379)161(74-86-192(270)340)301-255(402)211(132(20)331)327-254(401)209(128(16)26-4)323-246(393)180(112-197(275)345)311-245(392)181(113-203(356)357)316-250(397)205(124(11)12)320-229(376)160(73-85-191(269)339)291-218(365)154(63-47-96-278-259(276)277)289-223(370)163(76-88-199(348)349)297-238(385)175(107-140-118-282-150-59-40-36-55-145(140)150)315-256(403)210(131(19)330)325-231(378)159(72-84-190(268)338)286-215(362)146(263)104-137-115-279-147-56-37-33-52-142(137)147)251(398)300-157(70-82-188(266)336)226(373)309-176(108-193(271)341)241(388)298-164(77-89-200(350)351)222(369)288-153(62-43-46-95-262)220(367)308-177(109-194(272)342)243(390)299-167(92-97-407-22)228(375)305-171(102-136-64-66-141(333)67-65-136)236(383)296-166(79-91-202(354)355)227(374)304-169(99-122(7)8)234(381)293-155(68-80-186(264)334)221(368)287-152(61-42-45-94-261)219(366)303-170(100-123(9)10)235(382)310-178(110-195(273)343)242(389)294-156(69-81-187(265)335)225(372)306-173(105-138-116-280-148-57-38-34-53-143(138)148)239(386)313-182(114-204(358)359)247(394)322-207(126(14)24-2)252(399)314-172(101-134-48-29-27-30-49-134)237(384)318-184(119-328)249(396)312-179(111-196(274)344)244(391)307-174(106-139-117-281-149-58-39-35-54-144(139)149)240(387)317-183(258(405)406)103-135-50-31-28-32-51-135/h27-40,48-59,64-67,115-118,121-133,146,151-185,205-212,279-282,328-333H,23-26,41-47,60-63,68-114,119-120,260-263H2,1-22H3,(H2,264,334)(H2,265,335)(H2,266,336)(H2,267,337)(H2,268,338)(H2,269,339)(H2,270,340)(H2,271,341)(H2,272,342)(H2,273,343)(H2,274,344)(H2,275,345)(H,283,363)(H,284,364)(H,285,360)(H,286,362)(H,287,368)(H,288,369)(H,289,370)(H,290,395)(H,291,365)(H,292,371)(H,293,381)(H,294,389)(H,295,380)(H,296,383)(H,297,385)(H,298,388)(H,299,390)(H,300,398)(H,301,402)(H,302,361)(H,303,366)(H,304,374)(H,305,375)(H,306,372)(H,307,391)(H,308,367)(H,309,373)(H,310,382)(H,311,392)(H,312,396)(H,313,386)(H,314,399)(H,315,403)(H,316,397)(H,317,387)(H,318,384)(H,319,400)(H,320,376)(H,321,377)(H,322,394)(H,323,393)(H,324,404)(H,325,378)(H,326,379)(H,327,401)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,405,406)(H4,276,277,278)/t125-,126-,127-,128-,129-,130-,131+,132+,133+,146-,151-,152-,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-,183-,184-,185-,205-,206-,207-,208-,209-,210-,211-,212-/m0/s1

InChIKey

CYWCFGMZPSEEAW-ALSKOGOYSA-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)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-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-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-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-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)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-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]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597145