Chembl528551

Structural Information

Molecular Formula

C₂₀₁H₃₂₂N₅₀O₆₆

SMILES

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

InChI

InChI=1S/C201H322N50O66/c1-12-105(8)163(248-188(303)125(50-26-36-90-209)222-169(284)119(44-20-30-84-203)225-193(308)146(99-162(280)281)246-191(306)144(97-111-101-217-117-42-18-16-40-114(111)117)244-187(302)137(67-80-159(274)275)230-177(292)129(59-72-151(258)259)218-167(282)115(212)96-110-100-216-116-41-17-15-39-113(110)116)198(313)239-139(69-82-161(278)279)183(298)233-136(66-79-158(272)273)186(301)243-143(95-109-53-55-112(254)56-54-109)195(310)251-166(108(11)253)200(315)237-124(49-25-35-89-208)171(286)223-126(51-27-37-91-210)189(304)249-164(106(9)13-2)199(314)238-138(68-81-160(276)277)182(297)232-135(65-78-157(270)271)185(300)242-142(94-104(6)7)194(309)250-165(107(10)14-3)197(312)236-123(48-24-34-88-207)170(285)220-122(47-23-33-87-206)174(289)247-147(102-252)196(311)235-133(63-76-155(266)267)181(296)229-130(60-73-152(260)261)178(293)227-128(58-71-149(214)256)176(291)226-127(57-70-148(213)255)175(290)221-118(43-19-29-83-202)168(283)219-121(46-22-32-86-205)173(288)245-145(98-150(215)257)192(307)234-132(62-75-154(264)265)180(295)228-131(61-74-153(262)263)179(294)231-134(64-77-156(268)269)184(299)241-141(93-103(4)5)190(305)224-120(45-21-31-85-204)172(287)240-140(201(316)317)52-28-38-92-211/h15-18,39-42,53-56,100-101,103-108,115,118-147,163-166,216-217,252-254H,12-14,19-38,43-52,57-99,102,202-212H2,1-11H3,(H2,213,255)(H2,214,256)(H2,215,257)(H,218,282)(H,219,283)(H,220,285)(H,221,290)(H,222,284)(H,223,286)(H,224,305)(H,225,308)(H,226,291)(H,227,293)(H,228,295)(H,229,296)(H,230,292)(H,231,294)(H,232,297)(H,233,298)(H,234,307)(H,235,311)(H,236,312)(H,237,315)(H,238,314)(H,239,313)(H,240,287)(H,241,299)(H,242,300)(H,243,301)(H,244,302)(H,245,288)(H,246,306)(H,247,289)(H,248,303)(H,249,304)(H,250,309)(H,251,310)(H,258,259)(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,276,277)(H,278,279)(H,280,281)(H,316,317)/t105-,106-,107-,108+,115-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,163-,164-,165-,166-/m0/s1

InChIKey

NVSZPTSCFLWNSC-HEBLDULGSA-N

Compound name

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

Related CIDs

• CID 16134219