Gap31

Structural Information

Molecular Formula

C₂₅₉H₄₀₈N₇₀O₈₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CN=CN4)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C259H408N70O84/c1-30-131(21)202(321-231(387)164(98-144-71-75-147(344)76-72-144)305-252(408)204(135(25)338)322-210(366)134(24)281-187(349)108-275-211(367)148(60-41-45-81-260)291-250(406)205(136(26)339)325-240(396)179(120-337)310-224(380)161(95-141-56-37-33-38-57-141)298-238(394)178(119-336)314-247(403)200(129(17)18)320-254(410)208(139(29)342)324-232(388)170(104-194(359)360)302-219(375)156(90-122(3)4)283-186(348)106-264)249(405)326-207(138(28)341)253(409)304-163(97-143-69-73-146(343)74-70-143)230(386)317-199(128(15)16)246(402)306-168(102-185(267)347)227(383)297-160(94-140-54-35-32-36-55-140)223(379)295-159(93-125(9)10)222(378)301-167(101-184(266)346)226(382)289-154(78-80-192(355)356)216(372)294-157(91-123(5)6)220(376)288-152(65-50-86-274-259(270)271)217(373)316-198(127(13)14)245(401)292-150(62-43-47-83-262)218(374)323-206(137(27)340)251(407)293-155(63-44-48-84-263)255(411)328-88-52-67-181(328)242(398)290-153(77-79-191(353)354)212(368)276-109-188(350)284-166(100-183(265)345)225(381)309-173(114-331)235(391)300-165(99-145-107-272-121-280-145)213(369)277-111-190(352)315-203(132(22)31-2)257(413)329-89-53-68-182(329)243(399)313-177(118-335)237(393)296-158(92-124(7)8)221(377)287-151(64-49-85-273-258(268)269)214(370)286-149(61-42-46-82-261)215(371)308-176(117-334)239(395)312-175(116-333)236(392)303-169(103-193(357)358)228(384)307-171(105-195(361)362)256(412)327-87-51-66-180(327)241(397)278-110-189(351)285-172(113-330)233(389)311-174(115-332)234(390)299-162(96-142-58-39-34-40-59-142)229(385)318-201(130(19)20)248(404)319-197(126(11)12)244(400)282-133(23)209(365)279-112-196(363)364/h32-40,54-59,69-76,107,121-139,148-182,197-208,330-344H,30-31,41-53,60-68,77-106,108-120,260-264H2,1-29H3,(H2,265,345)(H2,266,346)(H2,267,347)(H,272,280)(H,275,367)(H,276,368)(H,277,369)(H,278,397)(H,279,365)(H,281,349)(H,282,400)(H,283,348)(H,284,350)(H,285,351)(H,286,370)(H,287,377)(H,288,376)(H,289,382)(H,290,398)(H,291,406)(H,292,401)(H,293,407)(H,294,372)(H,295,379)(H,296,393)(H,297,383)(H,298,394)(H,299,390)(H,300,391)(H,301,378)(H,302,375)(H,303,392)(H,304,409)(H,305,408)(H,306,402)(H,307,384)(H,308,371)(H,309,381)(H,310,380)(H,311,389)(H,312,395)(H,313,399)(H,314,403)(H,315,352)(H,316,373)(H,317,386)(H,318,385)(H,319,404)(H,320,410)(H,321,387)(H,322,366)(H,323,374)(H,324,388)(H,325,396)(H,326,405)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H4,268,269,273)(H4,270,271,274)/t131-,132-,133-,134-,135+,136+,137+,138+,139+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,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-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-/m0/s1

InChIKey

XZUIIFPVEPUATO-QXZMDWRJSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197279