Dp-207

Structural Information

Molecular Formula

C₂₄₉H₃₇₆N₆₈O₈₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)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](CC3=CNC4=CC=CC=C43)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](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C249H376N68O81S/c1-23-121(16)199(315-237(388)162(91-119(12)13)296-242(393)178(112-320)312-229(380)168(98-132-109-266-114-272-132)308-245(396)201(123(18)25-3)316-238(389)163(92-120(14)15)297-243(394)179(113-321)313-247(398)202(125(20)322)317-239(390)164(94-128-53-55-133(324)56-54-128)298-232(383)171(101-186(258)331)305-234(385)173(103-188(260)333)309-246(397)200(122(17)24-2)314-221(372)155(68-80-196(348)349)285-205(356)142(51-39-84-267-248(262)263)278-235(386)174(104-197(350)351)306-208(359)143(52-40-85-268-249(264)265)276-213(364)149(62-74-190(336)337)284-220(371)156(81-86-399-22)274-126(21)323)244(395)290-154(67-79-195(346)347)215(366)283-153(66-78-194(344)345)219(370)311-177(111-319)240(391)289-147(60-72-183(255)328)216(367)303-170(100-185(257)330)230(381)286-146(59-71-182(254)327)211(362)279-144(57-69-180(252)325)209(360)281-148(61-73-189(334)335)212(363)275-140(49-35-37-82-250)207(358)302-169(99-184(256)329)231(382)288-150(63-75-191(338)339)214(365)280-145(58-70-181(253)326)210(361)282-151(64-76-192(340)341)217(368)292-159(88-116(6)7)224(375)294-158(87-115(4)5)223(374)287-152(65-77-193(342)343)218(369)293-160(89-117(8)9)226(377)307-175(105-198(352)353)236(387)277-141(50-36-38-83-251)206(357)299-165(95-129-106-269-137-46-32-29-43-134(129)137)222(373)273-124(19)204(355)310-176(110-318)241(392)295-161(90-118(10)11)225(376)300-167(97-131-108-271-139-48-34-31-45-136(131)139)228(379)304-172(102-187(259)332)233(384)301-166(96-130-107-270-138-47-33-30-44-135(130)138)227(378)291-157(203(261)354)93-127-41-27-26-28-42-127/h26-34,41-48,53-56,106-109,114-125,140-179,199-202,269-271,318-322,324H,23-25,35-40,49-52,57-105,110-113,250-251H2,1-22H3,(H2,252,325)(H2,253,326)(H2,254,327)(H2,255,328)(H2,256,329)(H2,257,330)(H2,258,331)(H2,259,332)(H2,260,333)(H2,261,354)(H,266,272)(H,273,373)(H,274,323)(H,275,363)(H,276,364)(H,277,387)(H,278,386)(H,279,362)(H,280,365)(H,281,360)(H,282,361)(H,283,366)(H,284,371)(H,285,356)(H,286,381)(H,287,374)(H,288,382)(H,289,391)(H,290,395)(H,291,378)(H,292,368)(H,293,369)(H,294,375)(H,295,392)(H,296,393)(H,297,394)(H,298,383)(H,299,357)(H,300,376)(H,301,384)(H,302,358)(H,303,367)(H,304,379)(H,305,385)(H,306,359)(H,307,377)(H,308,396)(H,309,397)(H,310,355)(H,311,370)(H,312,380)(H,313,398)(H,314,372)(H,315,388)(H,316,389)(H,317,390)(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,350,351)(H,352,353)(H4,262,263,267)(H4,264,265,268)/t121-,122-,123-,124-,125+,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,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-,199-,200-,201-,202-/m0/s1

InChIKey

YTZLLWZXKKPVAI-IEXUULCBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-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)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]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]-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]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-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 16197461