Dp-118 (seqid:10)

Structural Information

Molecular Formula

C₂₀₁H₃₃₉N₅₉O₅₈S

SMILES

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

InChI

InChI=1S/C201H339N59O58S/c1-29-104(22)158(194(313)240-128(63-71-151(275)276)176(295)229-116(45-32-36-73-202)169(288)248-137(87-110-52-54-112(264)55-53-110)185(304)246-132(82-95(4)5)181(300)231-117(46-33-37-74-203)170(289)250-140(90-152(277)278)187(306)241-130(198(317)318)61-69-147(212)270)258-163(282)106(24)226-195(314)160(108(26)262)260-193(312)157(103(20)21)254-179(298)122(51-42-79-222-201(218)219)227-162(281)105(23)225-166(285)123(57-65-143(208)266)236-182(301)133(83-96(6)7)247-186(305)139(89-148(213)271)249-171(290)119(48-35-39-76-205)239-196(315)159(107(25)261)253-149(272)93-224-165(284)138(88-111-92-223-115-44-31-30-43-113(111)115)252-191(310)155(101(16)17)257-197(316)161(109(27)263)259-188(307)136(86-99(12)13)244-172(291)121(50-41-78-221-200(216)217)232-180(299)131(81-94(2)3)243-178(297)129(72-80-319-28)237-175(294)127(62-70-150(273)274)235-174(293)126(60-68-146(211)269)234-173(292)125(59-67-145(210)268)233-168(287)120(49-40-77-220-199(214)215)230-167(286)118(47-34-38-75-204)238-190(309)154(100(14)15)256-192(311)156(102(18)19)255-189(308)141(91-153(279)280)251-184(303)135(85-98(10)11)245-183(302)134(84-97(8)9)242-177(296)124(58-66-144(209)267)228-164(283)114(206)56-64-142(207)265/h30-31,43-44,52-55,92,94-109,114,116-141,154-161,223,261-264H,29,32-42,45-51,56-91,93,202-206H2,1-28H3,(H2,207,265)(H2,208,266)(H2,209,267)(H2,210,268)(H2,211,269)(H2,212,270)(H2,213,271)(H,224,284)(H,225,285)(H,226,314)(H,227,281)(H,228,283)(H,229,295)(H,230,286)(H,231,300)(H,232,299)(H,233,287)(H,234,292)(H,235,293)(H,236,301)(H,237,294)(H,238,309)(H,239,315)(H,240,313)(H,241,306)(H,242,296)(H,243,297)(H,244,291)(H,245,302)(H,246,304)(H,247,305)(H,248,288)(H,249,290)(H,250,289)(H,251,303)(H,252,310)(H,253,272)(H,254,298)(H,255,308)(H,256,311)(H,257,316)(H,258,282)(H,259,307)(H,260,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,317,318)(H4,214,215,220)(H4,216,217,221)(H4,218,219,222)/t104-,105-,106-,107+,108+,109+,114-,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-,154-,155-,156-,157-,158-,159-,160-,161-/m0/s1

InChIKey

WIDDWXCKINQACY-YTQCORCZSA-N

Compound name

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

Related CIDs

• CID 16133589