C34-rf

Structural Information

Molecular Formula

C₁₉₀H₂₈₇N₅₁O₆₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)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)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C

InChI

InChI=1S/C190H287N51O63S/c1-18-90(11)152(237-144(257)85-208-185(300)156(94(15)243)241-183(298)125(75-97-37-41-101(246)42-38-97)228-180(295)131(81-142(200)255)233-181(296)132(82-143(201)256)235-187(302)154(92(13)20-3)238-172(287)119(54-66-151(270)271)218-158(273)107(34-28-69-205-190(203)204)211-164(279)114(49-61-146(260)261)220-176(291)127(77-99-84-207-105-32-25-23-30-103(99)105)229-167(282)111(46-58-137(195)250)214-171(286)120(67-70-305-17)223-175(290)126(209-95(16)244)76-98-83-206-104-31-24-22-29-102(98)104)189(304)240-155(93(14)21-4)188(303)234-124(74-96-35-39-100(245)40-36-96)174(289)232-130(80-141(199)254)179(294)227-123(73-89(9)10)182(297)239-153(91(12)19-2)186(301)224-118(53-65-150(268)269)166(281)217-117(52-64-149(266)267)170(285)236-133(86-242)184(299)222-112(47-59-138(196)251)168(283)231-129(79-140(198)253)177(292)219-110(45-57-136(194)249)162(277)212-108(43-55-134(192)247)160(275)215-113(48-60-145(258)259)163(278)210-106(33-26-27-68-191)159(274)230-128(78-139(197)252)178(293)221-115(50-62-147(262)263)165(280)213-109(44-56-135(193)248)161(276)216-116(51-63-148(264)265)169(284)226-122(72-88(7)8)173(288)225-121(157(202)272)71-87(5)6/h22-25,29-32,35-42,83-84,87-94,106-133,152-156,206-207,242-243,245-246H,18-21,26-28,33-34,43-82,85-86,191H2,1-17H3,(H2,192,247)(H2,193,248)(H2,194,249)(H2,195,250)(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,254)(H2,200,255)(H2,201,256)(H2,202,272)(H,208,300)(H,209,244)(H,210,278)(H,211,279)(H,212,277)(H,213,280)(H,214,286)(H,215,275)(H,216,276)(H,217,281)(H,218,273)(H,219,292)(H,220,291)(H,221,293)(H,222,299)(H,223,290)(H,224,301)(H,225,288)(H,226,284)(H,227,294)(H,228,295)(H,229,282)(H,230,274)(H,231,283)(H,232,289)(H,233,296)(H,234,303)(H,235,302)(H,236,285)(H,237,257)(H,238,287)(H,239,297)(H,240,304)(H,241,298)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H4,203,204,205)/t90-,91-,92-,93-,94+,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-,152-,153-,154-,155-,156-/m0/s1

InChIKey

NBLFQSLGAIHBKO-OJHGUZBTSA-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-[[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]-5-amino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]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]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-amino-4-oxobutanoyl]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 16133682