Cortagine

Structural Information

Molecular Formula

C₁₉₂H₃₂₃N₅₅O₆₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]3CCC(=O)N3

InChI

InChI=1S/C192H323N55O63S/c1-32-95(23)148(243-183(304)130(84-249)241-187(308)149(96(24)33-2)244-184(305)131-42-37-67-247(131)189(310)132-43-38-66-246(132)139(257)82-208-156(277)106-47-56-138(256)214-106)186(307)239-127(80-145(268)269)180(301)234-123(76-92(17)18)177(298)240-129(83-248)182(303)235-118(71-87(7)8)171(292)225-113(51-60-143(264)265)166(287)230-120(73-89(11)12)174(295)231-117(70-86(5)6)170(291)218-104(40-35-64-206-191(201)202)159(280)223-114(52-61-144(266)267)168(289)242-147(94(21)22)185(306)238-124(77-93(19)20)172(293)224-112(50-59-142(262)263)164(285)226-115(62-68-311-31)167(288)222-111(49-58-141(260)261)163(284)217-103(39-34-63-205-190(199)200)157(278)212-100(28)153(274)216-110(48-57-140(258)259)162(283)221-109(46-55-135(195)253)165(286)228-116(69-85(3)4)169(290)213-101(29)154(275)215-108(45-54-134(194)252)161(282)220-107(44-53-133(193)251)158(279)211-98(26)152(273)210-99(27)155(276)227-125(78-136(196)254)179(300)236-126(79-137(197)255)178(299)219-105(41-36-65-207-192(203)204)160(281)229-119(72-88(9)10)173(294)232-121(74-90(13)14)175(296)233-122(75-91(15)16)176(297)237-128(81-146(270)271)181(302)245-150(102(30)250)188(309)209-97(25)151(198)272/h85-132,147-150,248-250H,32-84H2,1-31H3,(H2,193,251)(H2,194,252)(H2,195,253)(H2,196,254)(H2,197,255)(H2,198,272)(H,208,277)(H,209,309)(H,210,273)(H,211,279)(H,212,278)(H,213,290)(H,214,256)(H,215,275)(H,216,274)(H,217,284)(H,218,291)(H,219,299)(H,220,282)(H,221,283)(H,222,288)(H,223,280)(H,224,293)(H,225,292)(H,226,285)(H,227,276)(H,228,286)(H,229,281)(H,230,287)(H,231,295)(H,232,294)(H,233,296)(H,234,301)(H,235,303)(H,236,300)(H,237,297)(H,238,306)(H,239,307)(H,240,298)(H,241,308)(H,242,289)(H,243,304)(H,244,305)(H,245,302)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H4,199,200,205)(H4,201,202,206)(H4,203,204,207)/t95-,96-,97-,98-,99-,100-,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,147-,148-,149-,150-/m0/s1

InChIKey

ZRXFCMBSXKIROJ-LUYVHWDWSA-N

Compound name

(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 146018930