Wqqwerqvrfwdanitkvleeaqiqqeknmyelqkldkwasvwnwf

Structural Information

Molecular Formula

C₂₇₅H₃₉₈N₇₂O₇₄S

SMILES

CC[C@H](C)[C@@H](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](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](CCCNC(=N)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](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C275H398N72O74S/c1-22-140(15)225(270(417)324-179(82-94-209(285)355)241(388)312-176(79-91-206(282)352)240(387)316-183(86-98-216(363)364)242(389)309-170(69-43-47-104-277)236(383)334-198(122-212(288)358)262(409)321-187(102-109-422-21)247(394)329-192(114-148-74-76-155(350)77-75-148)256(403)319-186(89-101-219(369)370)246(393)327-188(110-134(3)4)253(400)317-177(80-92-207(283)353)239(386)308-169(68-42-46-103-276)234(381)326-189(111-135(5)6)255(402)337-202(126-221(373)374)264(411)311-171(70-44-48-105-278)235(382)330-193(117-150-128-298-164-63-37-31-57-157(150)164)251(398)304-144(19)230(377)341-204(133-348)266(413)344-224(139(13)14)269(416)339-197(121-154-132-302-168-67-41-35-61-161(154)168)260(407)335-199(123-213(289)359)263(410)333-196(120-153-131-301-167-66-40-34-60-160(153)167)261(408)340-203(273(420)421)115-147-54-28-25-29-55-147)345-250(397)180(83-95-210(286)356)306-228(375)142(17)303-232(379)182(85-97-215(361)362)315-244(391)185(88-100-218(367)368)318-254(401)190(112-136(7)8)338-268(415)223(138(11)12)342-248(395)172(71-45-49-106-279)323-272(419)227(145(20)349)347-271(418)226(141(16)23-2)346-265(412)200(124-214(290)360)325-229(376)143(18)305-252(399)201(125-220(371)372)336-259(406)195(119-152-130-300-166-65-39-33-59-159(152)166)332-257(404)191(113-146-52-26-24-27-53-146)328-237(384)174(73-51-108-296-275(293)294)322-267(414)222(137(9)10)343-249(396)181(84-96-211(287)357)314-233(380)173(72-50-107-295-274(291)292)310-243(390)184(87-99-217(365)366)320-258(405)194(118-151-129-299-165-64-38-32-58-158(151)165)331-245(392)178(81-93-208(284)354)313-238(385)175(78-90-205(281)351)307-231(378)162(280)116-149-127-297-163-62-36-30-56-156(149)163/h24-41,52-67,74-77,127-132,134-145,162,169-204,222-227,297-302,348-350H,22-23,42-51,68-73,78-126,133,276-280H2,1-21H3,(H2,281,351)(H2,282,352)(H2,283,353)(H2,284,354)(H2,285,355)(H2,286,356)(H2,287,357)(H2,288,358)(H2,289,359)(H2,290,360)(H,303,379)(H,304,398)(H,305,399)(H,306,375)(H,307,378)(H,308,386)(H,309,389)(H,310,390)(H,311,411)(H,312,388)(H,313,385)(H,314,380)(H,315,391)(H,316,387)(H,317,400)(H,318,401)(H,319,403)(H,320,405)(H,321,409)(H,322,414)(H,323,419)(H,324,417)(H,325,376)(H,326,381)(H,327,393)(H,328,384)(H,329,394)(H,330,382)(H,331,392)(H,332,404)(H,333,410)(H,334,383)(H,335,407)(H,336,406)(H,337,402)(H,338,415)(H,339,416)(H,340,408)(H,341,377)(H,342,395)(H,343,396)(H,344,413)(H,345,397)(H,346,412)(H,347,418)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,420,421)(H4,291,292,295)(H4,293,294,296)/t140-,141-,142-,143-,144-,145+,162-,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-,201-,202-,203-,204-,222-,223-,224-,225-,226-,227-/m0/s1

InChIKey

OVUXFLVYSICRKQ-HHQGOJRHSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-5-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]-1,5-dioxopentan-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)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]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 71597846