Wqtwerqvnfwdanitkaleeaqiqneknmyelqkldkwasawnwf

Structural Information

Molecular Formula

C₂₆₇H₃₈₁N₆₉O₇₅S

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)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](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CC1=CC=CC=C1)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/C267H381N69O75S/c1-21-132(11)217(262(406)312-170(76-86-200(274)342)237(381)324-190(114-204(278)346)254(398)309-176(82-92-211(355)356)234(378)300-166(68-43-47-98-270)232(376)323-191(115-205(279)347)255(399)310-179(95-101-412-20)239(383)318-184(106-143-71-73-150(340)74-72-143)248(392)307-178(84-94-213(359)360)238(382)317-181(103-129(5)6)246(390)305-169(75-85-199(273)341)233(377)299-165(67-42-46-97-269)230(374)316-182(104-130(7)8)247(391)327-196(120-215(363)364)258(402)302-167(69-44-48-99-271)231(375)320-185(109-145-122-287-159-61-36-30-55-152(145)159)243(387)294-138(17)225(369)331-198(127-337)260(404)296-137(16)223(367)314-186(110-146-123-288-160-62-37-31-56-153(146)160)251(395)325-192(116-206(280)348)256(400)322-188(112-148-125-290-162-64-39-33-58-155(148)162)253(397)330-197(266(410)411)107-142-52-27-24-28-53-142)333-241(385)171(77-87-201(275)343)297-221(365)134(13)293-228(372)174(80-90-209(351)352)304-236(380)177(83-93-212(357)358)306-245(389)180(102-128(3)4)313-222(366)135(14)292-227(371)164(66-41-45-96-268)311-264(408)220(140(19)339)336-263(407)218(133(12)22-2)334-259(403)194(118-208(282)350)315-224(368)136(15)295-244(388)195(119-214(361)362)326-252(396)187(111-147-124-289-161-63-38-32-57-154(147)161)321-249(393)183(105-141-50-25-23-26-51-141)319-257(401)193(117-207(281)349)329-261(405)216(131(9)10)332-240(384)173(79-89-203(277)345)303-229(373)168(70-49-100-285-267(283)284)301-235(379)175(81-91-210(353)354)308-250(394)189(113-149-126-291-163-65-40-34-59-156(149)163)328-265(409)219(139(18)338)335-242(386)172(78-88-202(276)344)298-226(370)157(272)108-144-121-286-158-60-35-29-54-151(144)158/h23-40,50-65,71-74,121-126,128-140,157,164-198,216-220,286-291,337-340H,21-22,41-49,66-70,75-120,127,268-272H2,1-20H3,(H2,273,341)(H2,274,342)(H2,275,343)(H2,276,344)(H2,277,345)(H2,278,346)(H2,279,347)(H2,280,348)(H2,281,349)(H2,282,350)(H,292,371)(H,293,372)(H,294,387)(H,295,388)(H,296,404)(H,297,365)(H,298,370)(H,299,377)(H,300,378)(H,301,379)(H,302,402)(H,303,373)(H,304,380)(H,305,390)(H,306,389)(H,307,392)(H,308,394)(H,309,398)(H,310,399)(H,311,408)(H,312,406)(H,313,366)(H,314,367)(H,315,368)(H,316,374)(H,317,382)(H,318,383)(H,319,401)(H,320,375)(H,321,393)(H,322,400)(H,323,376)(H,324,381)(H,325,395)(H,326,396)(H,327,391)(H,328,409)(H,329,405)(H,330,397)(H,331,369)(H,332,384)(H,333,385)(H,334,403)(H,335,386)(H,336,407)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,410,411)(H4,283,284,285)/t132-,133-,134-,135-,136-,137-,138-,139+,140+,157-,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-,191-,192-,193-,194-,195-,196-,197-,198-,216-,217-,218-,219-,220-/m0/s1

InChIKey

DSXDWYWSXBNILR-PZEPVADFSA-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)-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-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,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]-3-(1H-indol-3-yl)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 71597091