Wqtwerqvnfwdanitkvleeaqiqneknmyelqkldkwasvwnwf

Structural Information

Molecular Formula

C₂₇₁H₃₈₉N₆₉O₇₅S

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)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(C)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/C271H389N69O75S/c1-23-136(15)221(266(410)314-172(78-88-202(278)346)238(382)324-192(116-206(282)350)256(400)311-178(84-94-213(359)360)235(379)302-167(69-44-48-99-273)233(377)323-193(117-207(283)351)257(401)312-181(97-103-416-22)240(384)318-186(108-145-73-75-152(344)76-74-145)250(394)309-180(86-96-215(363)364)239(383)317-182(104-130(3)4)247(391)307-171(77-87-201(277)345)234(378)301-166(68-43-47-98-272)231(375)316-183(105-131(5)6)249(393)327-198(122-217(367)368)260(404)304-168(70-45-49-100-274)232(376)320-187(111-147-124-291-161-63-38-32-57-154(147)161)245(389)297-140(19)227(371)333-200(129-341)262(406)336-220(135(13)14)264(408)329-191(115-151-128-295-165-67-42-36-61-158(151)165)254(398)325-194(118-208(284)352)258(402)322-189(113-149-126-293-163-65-40-34-59-156(149)163)255(399)332-199(270(414)415)109-144-54-29-26-30-55-144)337-243(387)173(79-89-203(279)347)299-225(369)138(17)296-229(373)176(82-92-211(355)356)306-237(381)179(85-95-214(361)362)308-248(392)184(106-132(7)8)328-263(407)218(133(9)10)334-241(385)169(71-46-50-101-275)313-268(412)224(142(21)343)340-267(411)222(137(16)24-2)338-261(405)196(120-210(286)354)315-226(370)139(18)298-246(390)197(121-216(365)366)326-253(397)188(112-148-125-292-162-64-39-33-58-155(148)162)321-251(395)185(107-143-52-27-25-28-53-143)319-259(403)195(119-209(285)353)331-265(409)219(134(11)12)335-242(386)175(81-91-205(281)349)305-230(374)170(72-51-102-289-271(287)288)303-236(380)177(83-93-212(357)358)310-252(396)190(114-150-127-294-164-66-41-35-60-157(150)164)330-269(413)223(141(20)342)339-244(388)174(80-90-204(280)348)300-228(372)159(276)110-146-123-290-160-62-37-31-56-153(146)160/h25-42,52-67,73-76,123-128,130-142,159,166-200,218-224,290-295,341-344H,23-24,43-51,68-72,77-122,129,272-276H2,1-22H3,(H2,277,345)(H2,278,346)(H2,279,347)(H2,280,348)(H2,281,349)(H2,282,350)(H2,283,351)(H2,284,352)(H2,285,353)(H2,286,354)(H,296,373)(H,297,389)(H,298,390)(H,299,369)(H,300,372)(H,301,378)(H,302,379)(H,303,380)(H,304,404)(H,305,374)(H,306,381)(H,307,391)(H,308,392)(H,309,394)(H,310,396)(H,311,400)(H,312,401)(H,313,412)(H,314,410)(H,315,370)(H,316,375)(H,317,383)(H,318,384)(H,319,403)(H,320,376)(H,321,395)(H,322,402)(H,323,377)(H,324,382)(H,325,398)(H,326,397)(H,327,393)(H,328,407)(H,329,408)(H,330,413)(H,331,409)(H,332,399)(H,333,371)(H,334,385)(H,335,386)(H,336,406)(H,337,387)(H,338,405)(H,339,388)(H,340,411)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,414,415)(H4,287,288,289)/t136-,137-,138-,139-,140-,141+,142+,159-,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-,199-,200-,218-,219-,220-,221-,222-,223-,224-/m0/s1

InChIKey

XNGMFTSXNBCKPQ-DYARYWSXSA-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]-3-methyl-1-oxobutan-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]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71596661