[rksihigpgrafyt]4-spc

Structural Information

Molecular Formula

C₃₁₃H₄₉₅N₉₉O₇₃

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C313H495N99O73/c1-25-167(9)243(397-282(462)222(143-191-147-338-163-362-191)389-300(480)247(171(13)29-5)401-286(466)226(159-413)393-270(450)209(83-45-52-115-314)374-259(439)199(318)79-59-122-346-306(322)323)294(474)358-155-238(429)409-131-67-94-230(409)290(470)354-151-234(425)370-205(90-63-126-350-310(330)331)265(445)366-175(17)255(435)381-214(135-183-71-37-33-38-72-183)274(454)385-218(139-187-98-106-195(421)107-99-187)278(458)405-251(179(21)417)298(478)343-120-57-50-88-204(379-304(484)253(181(23)419)407-280(460)220(141-189-102-110-197(423)111-103-189)387-276(456)216(137-185-75-41-35-42-76-185)383-257(437)177(19)368-267(447)207(92-65-128-352-312(334)335)372-236(427)153-356-292(472)232-96-69-133-411(232)240(431)157-360-296(476)245(169(11)27-3)399-284(464)224(145-193-149-340-165-364-193)391-302(482)249(173(15)31-7)403-288(468)228(161-415)395-272(452)211(85-47-54-117-316)376-261(441)201(320)81-61-124-348-308(326)327)263(443)342-119-56-49-87-203(264(444)345-130-114-242(433)434)378-269(449)213(380-305(485)254(182(24)420)408-281(461)221(142-190-104-112-198(424)113-105-190)388-277(457)217(138-186-77-43-36-44-78-186)384-258(438)178(20)369-268(448)208(93-66-129-353-313(336)337)373-237(428)154-357-293(473)233-97-70-134-412(233)241(432)158-361-297(477)246(170(12)28-4)400-285(465)225(146-194-150-341-166-365-194)392-303(483)250(174(16)32-8)404-289(469)229(162-416)396-273(453)212(86-48-55-118-317)377-262(442)202(321)82-62-125-349-309(328)329)89-51-58-121-344-299(479)252(180(22)418)406-279(459)219(140-188-100-108-196(422)109-101-188)386-275(455)215(136-184-73-39-34-40-74-184)382-256(436)176(18)367-266(446)206(91-64-127-351-311(332)333)371-235(426)152-355-291(471)231-95-68-132-410(231)239(430)156-359-295(475)244(168(10)26-2)398-283(463)223(144-192-148-339-164-363-192)390-301(481)248(172(14)30-6)402-287(467)227(160-414)394-271(451)210(84-46-53-116-315)375-260(440)200(319)80-60-123-347-307(324)325/h33-44,71-78,98-113,147-150,163-182,199-233,243-254,413-424H,25-32,45-70,79-97,114-146,151-162,314-321H2,1-24H3,(H,338,362)(H,339,363)(H,340,364)(H,341,365)(H,342,443)(H,343,478)(H,344,479)(H,345,444)(H,354,470)(H,355,471)(H,356,472)(H,357,473)(H,358,474)(H,359,475)(H,360,476)(H,361,477)(H,366,445)(H,367,446)(H,368,447)(H,369,448)(H,370,425)(H,371,426)(H,372,427)(H,373,428)(H,374,439)(H,375,440)(H,376,441)(H,377,442)(H,378,449)(H,379,484)(H,380,485)(H,381,435)(H,382,436)(H,383,437)(H,384,438)(H,385,454)(H,386,455)(H,387,456)(H,388,457)(H,389,480)(H,390,481)(H,391,482)(H,392,483)(H,393,450)(H,394,451)(H,395,452)(H,396,453)(H,397,462)(H,398,463)(H,399,464)(H,400,465)(H,401,466)(H,402,467)(H,403,468)(H,404,469)(H,405,458)(H,406,459)(H,407,460)(H,408,461)(H,433,434)(H4,322,323,346)(H4,324,325,347)(H4,326,327,348)(H4,328,329,349)(H4,330,331,350)(H4,332,333,351)(H4,334,335,352)(H4,336,337,353)/t167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179+,180+,181+,182+,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-/m0/s1

InChIKey

YATTWVPDJYGYAM-YKUMVCEUSA-N

Compound name

3-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 16130175