[rksihtgpgrafyt]4-spc

Structural Information

Molecular Formula

C₃₀₅H₄₇₉N₉₉O₇₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)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](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CN=CN8)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](CC9=CC=C(C=C9)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)O)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)O)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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C305H479N99O77/c1-21-159(5)235(389-278(462)218(151-405)385-262(446)201(75-37-44-107-306)366-251(435)191(310)71-51-114-338-298(314)315)292(476)381-214(135-183-139-330-155-354-183)274(458)395-241(169(15)411)288(472)350-147-230(425)401-123-59-86-222(401)282(466)346-143-226(421)362-197(82-55-118-342-302(322)323)257(441)358-163(9)247(431)373-206(127-175-63-29-25-30-64-175)266(450)377-210(131-179-90-98-187(417)99-91-179)270(454)393-239(167(13)409)286(470)335-112-49-42-80-196(371-296(480)245(173(19)415)399-272(456)212(133-181-94-102-189(419)103-95-181)379-268(452)208(129-177-67-33-27-34-68-177)375-249(433)165(11)360-259(443)199(84-57-120-344-304(326)327)364-228(423)145-348-284(468)224-88-61-125-403(224)232(427)149-352-290(474)243(171(17)413)397-276(460)216(137-185-141-332-157-356-185)383-294(478)237(161(7)23-3)391-280(464)220(153-407)387-264(448)203(77-39-46-109-308)368-253(437)193(312)73-53-116-340-300(318)319)255(439)334-111-48-41-79-195(256(440)337-122-106-234(429)430)370-261(445)205(372-297(481)246(174(20)416)400-273(457)213(134-182-96-104-190(420)105-97-182)380-269(453)209(130-178-69-35-28-36-70-178)376-250(434)166(12)361-260(444)200(85-58-121-345-305(328)329)365-229(424)146-349-285(469)225-89-62-126-404(225)233(428)150-353-291(475)244(172(18)414)398-277(461)217(138-186-142-333-158-357-186)384-295(479)238(162(8)24-4)392-281(465)221(154-408)388-265(449)204(78-40-47-110-309)369-254(438)194(313)74-54-117-341-301(320)321)81-43-50-113-336-287(471)240(168(14)410)394-271(455)211(132-180-92-100-188(418)101-93-180)378-267(451)207(128-176-65-31-26-32-66-176)374-248(432)164(10)359-258(442)198(83-56-119-343-303(324)325)363-227(422)144-347-283(467)223-87-60-124-402(223)231(426)148-351-289(473)242(170(16)412)396-275(459)215(136-184-140-331-156-355-184)382-293(477)236(160(6)22-2)390-279(463)219(152-406)386-263(447)202(76-38-45-108-307)367-252(436)192(311)72-52-115-339-299(316)317/h25-36,63-70,90-105,139-142,155-174,191-225,235-246,405-420H,21-24,37-62,71-89,106-138,143-154,306-313H2,1-20H3,(H,330,354)(H,331,355)(H,332,356)(H,333,357)(H,334,439)(H,335,470)(H,336,471)(H,337,440)(H,346,466)(H,347,467)(H,348,468)(H,349,469)(H,350,472)(H,351,473)(H,352,474)(H,353,475)(H,358,441)(H,359,442)(H,360,443)(H,361,444)(H,362,421)(H,363,422)(H,364,423)(H,365,424)(H,366,435)(H,367,436)(H,368,437)(H,369,438)(H,370,445)(H,371,480)(H,372,481)(H,373,431)(H,374,432)(H,375,433)(H,376,434)(H,377,450)(H,378,451)(H,379,452)(H,380,453)(H,381,476)(H,382,477)(H,383,478)(H,384,479)(H,385,446)(H,386,447)(H,387,448)(H,388,449)(H,389,462)(H,390,463)(H,391,464)(H,392,465)(H,393,454)(H,394,455)(H,395,458)(H,396,459)(H,397,460)(H,398,461)(H,399,456)(H,400,457)(H,429,430)(H4,314,315,338)(H4,316,317,339)(H4,318,319,340)(H4,320,321,341)(H4,322,323,342)(H4,324,325,343)(H4,326,327,344)(H4,328,329,345)/t159-,160-,161-,162-,163-,164-,165-,166-,167+,168+,169+,170+,171+,172+,173+,174+,191-,192-,193-,194-,195-,196-,197-,198-,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-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-/m0/s1

InChIKey

SFCDKVLFARRENY-NNRUEXFLSA-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,3R)-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-hydroxybutanoyl]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 16130176