H35dnp

Structural Information

Molecular Formula

C₁₉₈H₃₀₉N₅₅O₆₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CN=CN4C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C198H309N55O60/c1-22-103(15)156(244-179(291)132(82-113-56-61-117(263)62-57-113)235-192(304)158(106(18)258)245-162(274)105(17)217-148(267)89-214-163(275)118(46-30-34-68-199)223-190(302)159(107(19)259)247-183(295)140(95-257)238-174(286)130(80-111-44-28-25-29-45-111)231-182(294)139(94-256)240-186(298)153(206)100(9)10)189(301)248-161(109(21)261)193(305)234-131(81-112-54-59-116(262)60-55-112)178(290)243-155(102(13)14)188(300)236-136(87-147(205)266)177(289)230-129(79-110-42-26-24-27-43-110)173(285)228-128(78-99(7)8)172(284)233-135(86-146(204)265)176(288)221-123(64-67-152(272)273)167(279)227-126(76-97(3)4)170(282)220-121(51-39-73-213-198(209)210)168(280)242-154(101(11)12)187(299)224-119(47-31-35-69-200)169(281)246-160(108(20)260)191(303)225-124(48-32-36-70-201)194(306)249-74-40-52-142(249)184(296)222-122(63-66-151(270)271)164(276)215-90-149(268)218-134(85-145(203)264)175(287)237-137(92-254)180(292)232-133(83-115-88-211-96-251(115)141-65-58-114(252(310)311)84-144(141)253(312)313)165(277)216-91-150(269)241-157(104(16)23-2)195(307)250-75-41-53-143(250)185(297)239-138(93-255)181(293)229-127(77-98(5)6)171(283)219-120(50-38-72-212-197(207)208)166(278)226-125(196(308)309)49-33-37-71-202/h24-29,42-45,54-62,65,84,88,96-109,118-140,142-143,153-161,254-263H,22-23,30-41,46-53,63-64,66-83,85-87,89-95,199-202,206H2,1-21H3,(H2,203,264)(H2,204,265)(H2,205,266)(H,214,275)(H,215,276)(H,216,277)(H,217,267)(H,218,268)(H,219,283)(H,220,282)(H,221,288)(H,222,296)(H,223,302)(H,224,299)(H,225,303)(H,226,278)(H,227,279)(H,228,285)(H,229,293)(H,230,289)(H,231,294)(H,232,292)(H,233,284)(H,234,305)(H,235,304)(H,236,300)(H,237,287)(H,238,286)(H,239,297)(H,240,298)(H,241,269)(H,242,280)(H,243,290)(H,244,291)(H,245,274)(H,246,281)(H,247,295)(H,248,301)(H,270,271)(H,272,273)(H,308,309)(H4,207,208,212)(H4,209,210,213)/t103-,104-,105-,106+,107+,108+,109+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,142-,143-,153-,154-,155-,156-,157-,158-,159-,160-,161-/m0/s1

InChIKey

XVOLGADBIJCWSO-NSJVLORJSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130225