[ac-gpgraf]8-spc

Structural Information

Molecular Formula

C₂₇₇H₄₁₉N₈₇O₆₅

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)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](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)CNC(=O)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)CNC(=O)C)NC(=O)[C@H](CCCCNC(=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)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]9CCCN9C(=O)CNC(=O)C)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)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)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)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C

InChI

InChI=1S/C277H419N87O65/c1-159(326-247(407)187(94-55-118-302-270(278)279)334-214(373)143-318-262(422)206-102-63-127-357(206)222(381)151-310-167(9)365)231(391)349-198(135-175-71-25-17-26-72-175)243(403)297-114-50-43-88-184(344-258(418)202(139-179-79-33-21-34-80-179)353-235(395)163(5)330-251(411)191(98-59-122-306-274(286)287)338-218(377)147-322-266(426)210-106-67-131-361(210)226(385)155-314-171(13)369)240(400)295-112-48-41-87-183(342-256(416)196(347-260(420)204(141-181-83-37-23-38-84-181)355-237(397)165(7)332-253(413)193(100-61-124-308-276(290)291)340-220(379)149-324-268(428)212-108-69-133-363(212)228(387)157-316-173(15)371)92-46-53-116-299-245(405)200(137-177-75-29-19-30-76-177)351-233(393)161(3)328-249(409)189(96-57-120-304-272(282)283)336-216(375)145-320-264(424)208-104-65-129-359(208)224(383)153-312-169(11)367)239(399)294-111-49-42-90-186(242(402)301-126-110-230(389)390)343-255(415)195(346-257(417)197(348-261(421)205(142-182-85-39-24-40-86-182)356-238(398)166(8)333-254(414)194(101-62-125-309-277(292)293)341-221(380)150-325-269(429)213-109-70-134-364(213)229(388)158-317-174(16)372)93-47-54-117-300-246(406)201(138-178-77-31-20-32-78-178)352-234(394)162(4)329-250(410)190(97-58-121-305-273(284)285)337-217(376)146-321-265(425)209-105-66-130-360(209)225(384)154-313-170(12)368)91-45-52-113-296-241(401)185(345-259(419)203(140-180-81-35-22-36-82-180)354-236(396)164(6)331-252(412)192(99-60-123-307-275(288)289)339-219(378)148-323-267(427)211-107-68-132-362(211)227(386)156-315-172(14)370)89-44-51-115-298-244(404)199(136-176-73-27-18-28-74-176)350-232(392)160(2)327-248(408)188(95-56-119-303-271(280)281)335-215(374)144-319-263(423)207-103-64-128-358(207)223(382)152-311-168(10)366/h17-40,71-86,159-166,183-213H,41-70,87-158H2,1-16H3,(H,294,399)(H,295,400)(H,296,401)(H,297,403)(H,298,404)(H,299,405)(H,300,406)(H,301,402)(H,310,365)(H,311,366)(H,312,367)(H,313,368)(H,314,369)(H,315,370)(H,316,371)(H,317,372)(H,318,422)(H,319,423)(H,320,424)(H,321,425)(H,322,426)(H,323,427)(H,324,428)(H,325,429)(H,326,407)(H,327,408)(H,328,409)(H,329,410)(H,330,411)(H,331,412)(H,332,413)(H,333,414)(H,334,373)(H,335,374)(H,336,375)(H,337,376)(H,338,377)(H,339,378)(H,340,379)(H,341,380)(H,342,416)(H,343,415)(H,344,418)(H,345,419)(H,346,417)(H,347,420)(H,348,421)(H,349,391)(H,350,392)(H,351,393)(H,352,394)(H,353,395)(H,354,396)(H,355,397)(H,356,398)(H,389,390)(H4,278,279,302)(H4,280,281,303)(H4,282,283,304)(H4,284,285,305)(H4,286,287,306)(H4,288,289,307)(H4,290,291,308)(H4,292,293,309)/t159-,160-,161-,162-,163-,164-,165-,166-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-/m0/s1

InChIKey

QTIZKGJRAQXGTA-HMDHZZESSA-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-acetamidoacetyl)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 16130174