Nh2-glu-lys-val-thr-glu-ala-leu-lys-ile-thr-asn-leu-arg-leu-val-thr-leu-glu-his-gln-val-leu-val-ile-gly-leu-lys-val-glu-ala-met-glu-lys-phe-leu-tyr-thr-ala-cooh

Structural Information

Molecular Formula

C₁₉₉H₃₃₅N₄₉O₅₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C199H335N49O56S/c1-37-107(27)156(187(292)211-93-145(256)216-132(81-95(3)4)176(281)220-123(55-44-48-77-202)173(278)238-151(102(17)18)188(293)226-127(64-70-147(259)260)165(270)213-109(29)162(267)217-131(74-80-305-36)171(276)223-129(66-72-149(263)264)169(274)219-121(53-42-46-75-200)167(272)232-139(88-116-51-40-39-41-52-116)181(286)230-135(84-98(9)10)180(285)233-140(89-117-58-60-119(253)61-59-117)186(291)245-158(112(32)249)194(299)215-111(31)198(303)304)244-190(295)153(104(21)22)241-185(290)138(87-101(15)16)235-189(294)152(103(19)20)239-175(280)126(63-68-143(205)254)224-182(287)141(90-118-92-209-94-212-118)234-170(275)130(67-73-150(265)266)225-179(284)136(85-99(11)12)236-196(301)160(114(34)251)247-192(297)155(106(25)26)242-184(289)137(86-100(13)14)229-168(273)125(57-50-79-210-199(207)208)222-178(283)134(83-97(7)8)231-183(288)142(91-144(206)255)237-197(302)161(115(35)252)248-193(298)157(108(28)38-2)243-174(279)124(56-45-49-78-203)221-177(282)133(82-96(5)6)228-163(268)110(30)214-166(271)128(65-71-148(261)262)227-195(300)159(113(33)250)246-191(296)154(105(23)24)240-172(277)122(54-43-47-76-201)218-164(269)120(204)62-69-146(257)258/h39-41,51-52,58-61,92,94-115,120-142,151-161,249-253H,37-38,42-50,53-57,62-91,93,200-204H2,1-36H3,(H2,205,254)(H2,206,255)(H,209,212)(H,211,292)(H,213,270)(H,214,271)(H,215,299)(H,216,256)(H,217,267)(H,218,269)(H,219,274)(H,220,281)(H,221,282)(H,222,283)(H,223,276)(H,224,287)(H,225,284)(H,226,293)(H,227,300)(H,228,268)(H,229,273)(H,230,286)(H,231,288)(H,232,272)(H,233,285)(H,234,275)(H,235,294)(H,236,301)(H,237,302)(H,238,278)(H,239,280)(H,240,277)(H,241,290)(H,242,289)(H,243,279)(H,244,295)(H,245,291)(H,246,296)(H,247,297)(H,248,298)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,303,304)(H4,207,208,210)/t107-,108-,109-,110-,111-,112+,113+,114+,115+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-/m0/s1

InChIKey

FJQSZTJLIGZCFV-IGEQFQIBSA-N

Compound name

(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131752
• CID 16131756
• CID 16131760