112540-82-6

Structural Information

Molecular Formula

C₁₈₀H₂₈₇N₅₇O₄₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199)/t94-,95-,96-,97-,98-,99-,100+,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-,140-,141-,142-,143-,144-/m0/s1

InChIKey

ZOWOHMFPXMYFKJ-WBTWNKCNSA-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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16144017