T-267225

Structural Information

Molecular Formula

C₂₀₁H₃₂₀N₅₈O₆₂

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](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](C)C(=O)N[C@@H]([C@@H](C)CC)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)N)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)NC(=O)C

InChI

InChI=1S/C201H320N58O62/c1-28-95(13)154(255-167(291)105(23)226-169(293)119(47-38-76-216-198(208)209)234-190(314)141(88-153(282)283)252-188(312)138(85-111-89-220-116-44-34-32-42-114(111)116)249-166(290)103(21)224-171(295)126(58-68-146(268)269)242-187(311)139(86-112-90-221-117-45-35-33-43-115(112)117)254-196(320)159(108(26)261)259-197(321)158(107(25)260)230-109(27)262)192(316)229-104(22)163(287)232-129(61-71-149(274)275)182(306)250-137(84-110-51-53-113(263)54-52-110)184(308)228-99(17)161(285)222-100(18)162(286)231-122(50-41-79-219-201(214)215)183(307)257-156(97(15)30-3)194(318)245-128(60-70-148(272)273)173(297)225-102(20)165(289)248-136(83-94(11)12)191(315)258-157(98(16)31-4)193(317)244-120(48-39-77-217-199(210)211)170(294)223-101(19)164(288)247-134(81-92(7)8)185(309)241-125(57-67-144(205)266)178(302)240-131(63-73-151(278)279)180(304)237-123(55-65-142(203)264)176(300)236-124(56-66-143(204)265)177(301)239-130(62-72-150(276)277)179(303)233-118(46-36-37-75-202)175(299)251-140(87-145(206)267)189(313)243-127(59-69-147(270)271)172(296)227-106(24)168(292)256-155(96(14)29-2)195(319)253-135(82-93(9)10)186(310)235-121(49-40-78-218-200(212)213)174(298)238-132(64-74-152(280)281)181(305)246-133(160(207)284)80-91(5)6/h32-35,42-45,51-54,89-108,118-141,154-159,220-221,260-261,263H,28-31,36-41,46-50,55-88,202H2,1-27H3,(H2,203,264)(H2,204,265)(H2,205,266)(H2,206,267)(H2,207,284)(H,222,285)(H,223,294)(H,224,295)(H,225,297)(H,226,293)(H,227,296)(H,228,308)(H,229,316)(H,230,262)(H,231,286)(H,232,287)(H,233,303)(H,234,314)(H,235,310)(H,236,300)(H,237,304)(H,238,298)(H,239,301)(H,240,302)(H,241,309)(H,242,311)(H,243,313)(H,244,317)(H,245,318)(H,246,305)(H,247,288)(H,248,289)(H,249,290)(H,250,306)(H,251,299)(H,252,312)(H,253,319)(H,254,320)(H,255,291)(H,256,292)(H,257,307)(H,258,315)(H,259,321)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H4,208,209,216)(H4,210,211,217)(H4,212,213,218)(H4,214,215,219)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108+,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-/m0/s1

InChIKey

GAKHXQMSLGHDGC-RPRLKZGCSA-N

Compound name

(4S)-4-[[(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-acetamido-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]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768010