Dp-185 (seqid:3)

Structural Information

Molecular Formula

C₂₀₅H₂₉₉N₄₉O₆₆

SMILES

CC[C@H](C)[C@@H](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](CC(C)C)C(=O)N[C@@H](CC(C)C)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[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)N

InChI

InChI=1S/C205H299N49O66/c1-19-101(14)166(251-204(318)169(105(18)259)254-198(312)146(88-158(216)269)247-202(316)167(103(16)257)252-171(285)117(208)79-107-43-47-112(260)48-44-107)201(315)246-139(80-108-45-49-113(261)50-46-108)197(311)253-168(104(17)258)203(317)245-138(78-100(12)13)190(304)236-134(74-96(4)5)185(299)229-128(56-66-160(272)273)179(293)227-132(60-70-164(280)281)183(297)250-150(94-256)199(313)232-126(54-64-154(212)265)180(294)242-144(86-156(214)267)193(307)228-125(53-63-153(211)264)176(290)223-123(51-61-151(209)262)174(288)225-127(55-65-159(270)271)177(291)221-121(41-29-31-71-206)173(287)241-143(85-155(213)266)194(308)231-129(57-67-161(274)275)178(292)224-124(52-62-152(210)263)175(289)226-130(58-68-162(276)277)181(295)233-135(75-97(6)7)187(301)235-133(73-95(2)3)186(300)230-131(59-69-163(278)279)182(296)234-136(76-98(8)9)189(303)244-147(89-165(282)283)196(310)222-122(42-30-32-72-207)172(286)238-140(82-109-90-217-118-38-26-23-35-114(109)118)184(298)220-102(15)170(284)249-149(93-255)200(314)237-137(77-99(10)11)188(302)239-141(83-110-91-218-119-39-27-24-36-115(110)119)191(305)243-145(87-157(215)268)195(309)240-142(84-111-92-219-120-40-28-25-37-116(111)120)192(306)248-148(205(319)320)81-106-33-21-20-22-34-106/h20-28,33-40,43-50,90-92,95-105,117,121-150,166-169,217-219,255-261H,19,29-32,41-42,51-89,93-94,206-208H2,1-18H3,(H2,209,262)(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H2,214,267)(H2,215,268)(H2,216,269)(H,220,298)(H,221,291)(H,222,310)(H,223,290)(H,224,292)(H,225,288)(H,226,289)(H,227,293)(H,228,307)(H,229,299)(H,230,300)(H,231,308)(H,232,313)(H,233,295)(H,234,296)(H,235,301)(H,236,304)(H,237,314)(H,238,286)(H,239,302)(H,240,309)(H,241,287)(H,242,294)(H,243,305)(H,244,303)(H,245,317)(H,246,315)(H,247,316)(H,248,306)(H,249,284)(H,250,297)(H,251,318)(H,252,285)(H,253,311)(H,254,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,319,320)/t101-,102-,103+,104+,105+,117-,121-,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-,149-,150-,166-,167-,168-,169-/m0/s1

InChIKey

POAXXIIRMOALJF-RMUWAUNNSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]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-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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 16133587