C46-eho

Structural Information

Molecular Formula

C₂₇₁H₃₉₈N₇₀O₇₆S

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](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](CC2=CNC3=CC=CC=C32)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](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](CC(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](CC(C)C)NC(=O)[C@H](CC9=CC=CC=C9)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/C271H398N70O76S/c1-24-138(17)221(339-246(393)174(78-91-207(281)350)300-224(371)140(19)297-228(375)176(80-93-212(355)356)308-240(387)179(83-96-215(361)362)312-250(397)184(107-132(5)6)323-251(398)185(108-133(7)8)320-232(379)166(66-44-47-102-274)317-268(415)223(143(22)343)341-267(414)222(139(18)25-2)340-263(410)197(122-211(285)354)319-225(372)141(20)299-248(395)198(123-218(367)368)334-254(401)187(110-135(11)12)324-256(403)189(112-144-50-28-26-29-51-144)326-233(380)168(68-49-104-291-271(288)289)316-265(412)220(137(15)16)338-245(392)175(79-92-208(282)351)307-229(376)167(67-48-103-290-270(286)287)303-239(386)178(82-95-214(359)360)314-257(404)192(117-149-127-294-161-61-39-34-56-155(149)161)329-241(388)172(76-89-205(279)348)306-234(381)169(73-86-202(276)345)301-227(374)158(275)115-147-125-292-159-59-37-32-54-153(147)159)266(413)318-173(77-90-206(280)349)237(384)305-170(74-87-203(277)346)235(382)309-177(81-94-213(357)358)238(385)302-164(64-42-45-100-272)231(378)332-195(120-209(283)352)260(407)315-182(99-105-418-23)244(391)327-190(113-146-69-71-152(344)72-70-146)255(402)313-181(85-98-217(365)366)243(390)321-183(106-131(3)4)249(396)311-171(75-88-204(278)347)236(383)310-180(84-97-216(363)364)242(389)322-186(109-134(9)10)253(400)335-199(124-219(369)370)262(409)304-165(65-43-46-101-273)230(377)328-191(116-148-126-293-160-60-38-33-55-154(148)160)247(394)298-142(21)226(373)337-201(130-342)264(411)325-188(111-136(13)14)252(399)330-193(118-150-128-295-162-62-40-35-57-156(150)162)258(405)333-196(121-210(284)353)261(408)331-194(119-151-129-296-163-63-41-36-58-157(151)163)259(406)336-200(269(416)417)114-145-52-30-27-31-53-145/h26-41,50-63,69-72,125-129,131-143,158,164-201,220-223,292-296,342-344H,24-25,42-49,64-68,73-124,130,272-275H2,1-23H3,(H2,276,345)(H2,277,346)(H2,278,347)(H2,279,348)(H2,280,349)(H2,281,350)(H2,282,351)(H2,283,352)(H2,284,353)(H2,285,354)(H,297,375)(H,298,394)(H,299,395)(H,300,371)(H,301,374)(H,302,385)(H,303,386)(H,304,409)(H,305,384)(H,306,381)(H,307,376)(H,308,387)(H,309,382)(H,310,383)(H,311,396)(H,312,397)(H,313,402)(H,314,404)(H,315,407)(H,316,412)(H,317,415)(H,318,413)(H,319,372)(H,320,379)(H,321,390)(H,322,389)(H,323,398)(H,324,403)(H,325,411)(H,326,380)(H,327,391)(H,328,377)(H,329,388)(H,330,399)(H,331,408)(H,332,378)(H,333,405)(H,334,401)(H,335,400)(H,336,406)(H,337,373)(H,338,392)(H,339,393)(H,340,410)(H,341,414)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,416,417)(H4,286,287,290)(H4,288,289,291)/t138-,139-,140-,141-,142-,143+,158-,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-,199-,200-,201-,220-,221-,222-,223-/m0/s1

InChIKey

XTDISINCQWZQFN-KFNKTHSHSA-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)-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]-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]-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]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71596660