Chembl428503

Structural Information

Molecular Formula

C₁₉₇H₃₁₄N₅₆O₆₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](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](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C197H314N56O61/c1-28-94(14)152(250-164(284)105(25)223-165(285)117(46-37-73-211-194(203)204)229-186(306)138(86-150(274)275)247-184(304)135(83-109-87-215-114-43-33-31-41-112(109)114)243-163(283)103(23)221-168(288)123(56-65-143(260)261)236-183(303)136(84-110-88-216-115-44-34-32-42-113(110)115)248-192(312)155(107(27)255)253-188(308)151(202)106(26)254)189(309)225-104(24)159(279)227-126(59-68-146(266)267)175(295)245-134(82-108-50-52-111(256)53-51-108)179(299)224-98(18)157(277)217-99(19)158(278)226-120(49-40-76-214-197(209)210)178(298)251-153(95(15)29-2)191(311)239-125(58-67-145(264)265)169(289)222-102(22)162(282)242-133(80-92(10)11)187(307)252-154(96(16)30-3)190(310)238-118(47-38-74-212-195(205)206)166(286)220-101(21)161(281)241-131(78-90(6)7)181(301)234-121(54-63-140(199)257)173(293)233-128(61-70-148(270)271)176(296)244-132(79-91(8)9)182(302)235-122(55-64-141(200)258)172(292)232-127(60-69-147(268)269)174(294)228-116(45-35-36-72-198)171(291)246-137(85-142(201)259)185(305)237-124(57-66-144(262)263)167(287)219-97(17)156(276)218-100(20)160(280)240-130(77-89(4)5)180(300)230-119(48-39-75-213-196(207)208)170(290)231-129(62-71-149(272)273)177(297)249-139(193(313)314)81-93(12)13/h31-34,41-44,50-53,87-107,116-139,151-155,215-216,254-256H,28-30,35-40,45-49,54-86,198,202H2,1-27H3,(H2,199,257)(H2,200,258)(H2,201,259)(H,217,277)(H,218,276)(H,219,287)(H,220,286)(H,221,288)(H,222,289)(H,223,285)(H,224,299)(H,225,309)(H,226,278)(H,227,279)(H,228,294)(H,229,306)(H,230,300)(H,231,290)(H,232,292)(H,233,293)(H,234,301)(H,235,302)(H,236,303)(H,237,305)(H,238,310)(H,239,311)(H,240,280)(H,241,281)(H,242,282)(H,243,283)(H,244,296)(H,245,295)(H,246,291)(H,247,304)(H,248,312)(H,249,297)(H,250,284)(H,251,298)(H,252,307)(H,253,308)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,313,314)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,151-,152-,153-,154-,155-/m0/s1

InChIKey

PJZKPDUNMUFPGR-GAQTUHIWSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134215