[igpgraf]8-spc

Structural Information

Molecular Formula

C₃₀₉H₄₉₁N₉₅O₆₅

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)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H]([C@@H](C)CC)N)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)N)NC(=O)[C@H](CCCCNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]8CCCN8C(=O)CNC(=O)[C@H]([C@@H](C)CC)N)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)N)NC(=O)[C@H](CCCCNC(=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)N)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)N)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)N)N

InChI

InChI=1S/C309H491N95O65/c1-25-175(9)247(310)294(462)358-167-238(413)397-143-79-118-222(397)286(454)350-159-230(405)374-203(110-71-134-342-302(318)319)271(439)366-183(17)255(423)389-214(151-191-87-41-33-42-88-191)267(435)337-130-66-59-104-200(384-282(450)218(155-195-95-49-37-50-96-195)393-259(427)187(21)370-275(443)207(114-75-138-346-306(326)327)378-234(409)163-354-290(458)226-122-83-147-401(226)242(417)171-362-298(466)251(314)179(13)29-5)264(432)335-128-64-57-103-199(382-280(448)212(387-284(452)220(157-197-99-53-39-54-100-197)395-261(429)189(23)372-277(445)209(116-77-140-348-308(330)331)380-236(411)165-356-292(460)228-124-85-149-403(228)244(419)173-364-300(468)253(316)181(15)31-7)108-62-69-132-339-269(437)216(153-193-91-45-35-46-92-193)391-257(425)185(19)368-273(441)205(112-73-136-344-304(322)323)376-232(407)161-352-288(456)224-120-81-145-399(224)240(415)169-360-296(464)249(312)177(11)27-3)263(431)334-127-65-58-106-202(266(434)341-142-126-246(421)422)383-279(447)211(386-281(449)213(388-285(453)221(158-198-101-55-40-56-102-198)396-262(430)190(24)373-278(446)210(117-78-141-349-309(332)333)381-237(412)166-357-293(461)229-125-86-150-404(229)245(420)174-365-301(469)254(317)182(16)32-8)109-63-70-133-340-270(438)217(154-194-93-47-36-48-94-194)392-258(426)186(20)369-274(442)206(113-74-137-345-305(324)325)377-233(408)162-353-289(457)225-121-82-146-400(225)241(416)170-361-297(465)250(313)178(12)28-4)107-61-68-129-336-265(433)201(385-283(451)219(156-196-97-51-38-52-98-196)394-260(428)188(22)371-276(444)208(115-76-139-347-307(328)329)379-235(410)164-355-291(459)227-123-84-148-402(227)243(418)172-363-299(467)252(315)180(14)30-6)105-60-67-131-338-268(436)215(152-192-89-43-34-44-90-192)390-256(424)184(18)367-272(440)204(111-72-135-343-303(320)321)375-231(406)160-351-287(455)223-119-80-144-398(223)239(414)168-359-295(463)248(311)176(10)26-2/h33-56,87-102,175-190,199-229,247-254H,25-32,57-86,103-174,310-317H2,1-24H3,(H,334,431)(H,335,432)(H,336,433)(H,337,435)(H,338,436)(H,339,437)(H,340,438)(H,341,434)(H,350,454)(H,351,455)(H,352,456)(H,353,457)(H,354,458)(H,355,459)(H,356,460)(H,357,461)(H,358,462)(H,359,463)(H,360,464)(H,361,465)(H,362,466)(H,363,467)(H,364,468)(H,365,469)(H,366,439)(H,367,440)(H,368,441)(H,369,442)(H,370,443)(H,371,444)(H,372,445)(H,373,446)(H,374,405)(H,375,406)(H,376,407)(H,377,408)(H,378,409)(H,379,410)(H,380,411)(H,381,412)(H,382,448)(H,383,447)(H,384,450)(H,385,451)(H,386,449)(H,387,452)(H,388,453)(H,389,423)(H,390,424)(H,391,425)(H,392,426)(H,393,427)(H,394,428)(H,395,429)(H,396,430)(H,421,422)(H4,318,319,342)(H4,320,321,343)(H4,322,323,344)(H4,324,325,345)(H4,326,327,346)(H4,328,329,347)(H4,330,331,348)(H4,332,333,349)/t175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,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-,247-,248-,249-,250-,251-,252-,253-,254-/m0/s1

InChIKey

DWZRPTNZQACFAH-LTCAJFMSSA-N

Compound name

3-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 16130169