C34-bal

Structural Information

Molecular Formula

C₁₈₉H₂₈₅N₄₉O₆₅S

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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)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](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)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

InChI

InChI=1S/C189H285N49O65S/c1-18-89(11)150(184(299)219-116(52-63-147(264)265)163(278)212-115(51-62-146(262)263)167(282)231-131(83-239)181(296)217-110(46-57-137(194)249)164(279)226-127(77-139(196)251)174(289)215-109(45-56-136(193)248)160(275)208-107(43-54-134(191)246)158(273)210-111(47-58-142(254)255)161(276)206-105(33-26-27-66-190)157(272)225-126(76-138(195)250)175(290)216-112(48-59-143(256)257)162(277)209-108(44-55-135(192)247)159(274)211-113(49-60-144(258)259)165(280)221-120(70-87(7)8)170(285)220-119(155(199)270)69-86(5)6)235-179(294)121(71-88(9)10)222-182(297)132(84-240)232-171(286)122(72-95-35-39-99(244)40-36-95)229-186(301)152(91(13)20-3)237-187(302)153(92(14)21-4)236-183(298)133(85-241)233-188(303)154(93(15)242)238-180(295)123(73-96-37-41-100(245)42-38-96)223-176(291)128(78-140(197)252)227-177(292)129(79-141(198)253)230-185(300)151(90(12)19-2)234-169(284)117(53-64-148(266)267)214-156(271)106(34-28-67-202-189(200)201)207-178(293)130(80-149(268)269)228-173(288)125(75-98-82-204-104-32-25-23-30-102(98)104)224-166(281)114(50-61-145(260)261)213-168(283)118(65-68-304-17)218-172(287)124(205-94(16)243)74-97-81-203-103-31-24-22-29-101(97)103/h22-25,29-32,35-42,81-82,86-93,105-133,150-154,203-204,239-242,244-245H,18-21,26-28,33-34,43-80,83-85,190H2,1-17H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,249)(H2,195,250)(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,270)(H,205,243)(H,206,276)(H,207,293)(H,208,275)(H,209,277)(H,210,273)(H,211,274)(H,212,278)(H,213,283)(H,214,271)(H,215,289)(H,216,290)(H,217,296)(H,218,287)(H,219,299)(H,220,285)(H,221,280)(H,222,297)(H,223,291)(H,224,281)(H,225,272)(H,226,279)(H,227,292)(H,228,288)(H,229,301)(H,230,300)(H,231,282)(H,232,286)(H,233,303)(H,234,284)(H,235,294)(H,236,298)(H,237,302)(H,238,295)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H4,200,201,202)/t89-,90-,91-,92-,93+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,150-,151-,152-,153-,154-/m0/s1

InChIKey

KNSQQYCKICWWPZ-PUFSDSKHSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-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-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133678