Chembl428147

Structural Information

Molecular Formula

C₂₀₄H₃₁₄N₅₄O₇₁S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)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](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)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](CCC(=O)N)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](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C204H314N54O71S2/c1-21-97(14)161(198(323)236-124(51-63-158(285)286)174(299)228-123(50-62-157(283)284)179(304)251-141(88-259)195(320)234-117(44-56-147(210)268)175(300)244-136(81-149(212)270)187(312)231-116(43-55-146(209)267)171(296)224-114(41-53-144(207)265)169(294)226-118(45-57-152(273)274)172(297)222-112(35-28-29-67-205)168(293)243-135(80-148(211)269)188(313)233-119(46-58-153(275)276)173(298)225-115(42-54-145(208)266)170(295)227-120(47-59-154(277)278)176(301)237-128(72-93(6)7)183(308)238-127(71-92(4)5)182(307)232-122(49-61-156(281)282)178(303)250-140(203(328)329)75-96(12)13)255-192(317)129(73-94(8)9)239-196(321)142(89-260)252-186(311)134(79-105-87-217-91-221-105)248-199(324)163(99(16)23-3)256-193(318)130(74-95(10)11)240-197(322)143(90-261)253-202(327)165(101(18)263)258-194(319)131(76-102-37-39-106(264)40-38-102)241-189(314)137(82-150(213)271)245-190(315)138(83-151(214)272)249-200(325)162(98(15)22-2)254-181(306)125(52-64-159(287)288)230-167(292)113(36-30-68-218-204(215)216)223-191(316)139(84-160(289)290)246-185(310)132(77-103-85-219-110-33-26-24-31-107(103)110)242-177(302)121(48-60-155(279)280)229-180(305)126(66-70-331-20)235-184(309)133(78-104-86-220-111-34-27-25-32-108(104)111)247-201(326)164(100(17)262)257-166(291)109(206)65-69-330-19/h24-27,31-34,37-40,85-87,91-101,109,112-143,161-165,219-220,259-264H,21-23,28-30,35-36,41-84,88-90,205-206H2,1-20H3,(H2,207,265)(H2,208,266)(H2,209,267)(H2,210,268)(H2,211,269)(H2,212,270)(H2,213,271)(H2,214,272)(H,217,221)(H,222,297)(H,223,316)(H,224,296)(H,225,298)(H,226,294)(H,227,295)(H,228,299)(H,229,305)(H,230,292)(H,231,312)(H,232,307)(H,233,313)(H,234,320)(H,235,309)(H,236,323)(H,237,301)(H,238,308)(H,239,321)(H,240,322)(H,241,314)(H,242,302)(H,243,293)(H,244,300)(H,245,315)(H,246,310)(H,247,326)(H,248,324)(H,249,325)(H,250,303)(H,251,304)(H,252,311)(H,253,327)(H,254,306)(H,255,317)(H,256,318)(H,257,291)(H,258,319)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,328,329)(H4,215,216,218)/t97-,98-,99-,100+,101+,109-,112-,113-,114-,115-,116-,117-,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-,161-,162-,163-,164-,165-/m0/s1

InChIKey

UDSHHMVWONGNLN-XQJVIEGXSA-N

Compound name

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

Related CIDs

• CID 16134133