Dp-125 (seqid:8)

Structural Information

Molecular Formula

C₂₀₉H₃₄₇N₆₃O₅₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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)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](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)N

InChI

InChI=1S/C209H347N63O58S/c1-32-107(24)165(202(325)250-123(47-38-40-72-211)178(301)246-129(57-65-151(215)277)183(306)254-136(77-98(6)7)190(313)248-127(55-63-149(213)275)176(299)236-110(27)169(292)241-126(50-43-75-230-209(225)226)186(309)271-167(109(26)34-3)204(327)265-135(76-97(4)5)187(310)239-112(29)171(294)268-163(105(20)21)200(323)251-133(62-70-161(288)289)182(305)243-125(49-42-74-229-208(223)224)180(303)261-143(84-115-51-53-118(274)54-52-115)194(317)258-138(79-100(10)11)188(311)244-122(46-37-39-71-210)179(302)264-148(89-162(290)291)198(321)253-134(206(329)330)60-68-154(218)280)267-159(285)94-234-174(297)144(85-116-90-231-121-45-36-35-44-119(116)121)266-201(324)164(106(22)23)269-205(328)168(114(31)273)272-199(322)142(83-104(18)19)255-184(307)131(59-67-153(217)279)249-191(314)139(80-101(12)13)257-192(315)140(81-102(14)15)259-195(318)145(86-117-91-227-96-235-117)262-185(308)130(58-66-152(216)278)247-181(304)128(56-64-150(214)276)242-170(293)111(28)237-177(300)132(61-69-160(286)287)252-203(326)166(108(25)33-2)270-172(295)113(30)238-175(298)124(48-41-73-228-207(221)222)245-189(312)137(78-99(8)9)256-193(316)141(82-103(16)17)260-197(320)147(88-156(220)282)263-196(319)146(87-155(219)281)240-158(284)93-232-157(283)92-233-173(296)120(212)95-331/h35-36,44-45,51-54,90-91,96-114,120,122-148,163-168,231,273-274,331H,32-34,37-43,46-50,55-89,92-95,210-212H2,1-31H3,(H2,213,275)(H2,214,276)(H2,215,277)(H2,216,278)(H2,217,279)(H2,218,280)(H2,219,281)(H2,220,282)(H,227,235)(H,232,283)(H,233,296)(H,234,297)(H,236,299)(H,237,300)(H,238,298)(H,239,310)(H,240,284)(H,241,292)(H,242,293)(H,243,305)(H,244,311)(H,245,312)(H,246,301)(H,247,304)(H,248,313)(H,249,314)(H,250,325)(H,251,323)(H,252,326)(H,253,321)(H,254,306)(H,255,307)(H,256,316)(H,257,315)(H,258,317)(H,259,318)(H,260,320)(H,261,303)(H,262,308)(H,263,319)(H,264,302)(H,265,327)(H,266,324)(H,267,285)(H,268,294)(H,269,328)(H,270,295)(H,271,309)(H,272,322)(H,286,287)(H,288,289)(H,290,291)(H,329,330)(H4,221,222,228)(H4,223,224,229)(H4,225,226,230)/t107-,108-,109-,110-,111-,112-,113-,114+,120-,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-,148-,163-,164-,165-,166-,167-,168-/m0/s1

InChIKey

JDFBRLVHCBQQSI-OETQVCAYSA-N

Compound name

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

Related CIDs

• CID 16133590