(biotin-cys-cys-gly-gly-ile-lys-lys-glu-ile-glu-ala-ile-lys-lys-glu-gln-glu-ala-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys-glu--ieaqqhllqltvwgikqlqaril-nh2)3

Structural Information

Molecular Formula

C₂₆₇H₄₅₈N₇₄O₇₅S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)N

InChI

InChI=1S/C267H458N74O75S2/c1-37-138(22)208(331-197(350)127-290-196(349)126-291-226(376)189(130-418)330-224(374)156(277)129-417)257(407)315-162(73-52-61-111-272)236(386)303-160(71-50-59-109-270)234(384)311-180(91-105-205(364)365)249(399)340-215(145(29)44-8)264(414)321-177(88-102-202(358)359)231(381)297-150(34)222(372)335-211(141(25)40-4)260(410)318-164(75-54-63-113-274)238(388)302-159(70-49-58-108-269)233(383)310-178(89-103-203(360)361)242(392)307-170(81-95-192(280)345)241(391)309-174(85-99-199(352)353)228(378)296-149(33)221(371)334-210(140(24)39-3)259(409)317-163(74-53-62-112-273)237(387)301-158(69-48-57-107-268)232(382)305-166(77-56-65-115-276)247(397)337-213(143(27)42-6)262(412)320-176(87-101-201(356)357)230(380)298-151(35)223(373)336-212(142(26)41-5)261(411)322-179(90-104-204(362)363)243(393)304-161(72-51-60-110-271)235(385)312-181(92-106-206(366)367)250(400)339-214(144(28)43-7)263(413)319-175(86-100-200(354)355)229(379)295-148(32)220(370)300-169(80-94-191(279)344)240(390)308-172(83-97-194(282)347)246(396)328-188(123-154-125-287-131-293-154)254(404)327-185(120-135(16)17)253(403)326-184(119-134(14)15)252(402)314-173(84-98-195(283)348)245(395)325-186(121-136(18)19)255(405)341-217(152(36)342)266(416)333-207(137(20)21)256(406)329-187(122-153-124-289-157-68-47-46-67-155(153)157)225(375)292-128-198(351)332-209(139(23)38-2)258(408)316-165(76-55-64-114-275)239(389)306-171(82-96-193(281)346)244(394)324-183(118-133(12)13)251(401)313-168(79-93-190(278)343)227(377)294-147(31)219(369)299-167(78-66-116-288-267(285)286)248(398)338-216(146(30)45-9)265(415)323-182(218(284)368)117-132(10)11/h46-47,67-68,124-125,131-152,156,158-189,207-217,289,342,417-418H,37-45,48-66,69-123,126-130,268-277H2,1-36H3,(H2,278,343)(H2,279,344)(H2,280,345)(H2,281,346)(H2,282,347)(H2,283,348)(H2,284,368)(H,287,293)(H,290,349)(H,291,376)(H,292,375)(H,294,377)(H,295,379)(H,296,378)(H,297,381)(H,298,380)(H,299,369)(H,300,370)(H,301,387)(H,302,388)(H,303,386)(H,304,393)(H,305,382)(H,306,389)(H,307,392)(H,308,390)(H,309,391)(H,310,383)(H,311,384)(H,312,385)(H,313,401)(H,314,402)(H,315,407)(H,316,408)(H,317,409)(H,318,410)(H,319,413)(H,320,412)(H,321,414)(H,322,411)(H,323,415)(H,324,394)(H,325,395)(H,326,403)(H,327,404)(H,328,396)(H,329,406)(H,330,374)(H,331,350)(H,332,351)(H,333,416)(H,334,371)(H,335,372)(H,336,373)(H,337,397)(H,338,398)(H,339,400)(H,340,399)(H,341,405)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,366,367)(H4,285,286,288)/t138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,156-,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-,186-,187-,188-,189-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-/m0/s1

InChIKey

OONFFXNMJUCMJU-OLHHRDCDSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134118