Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₀₆H₃₀₀N₅₆O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=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)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C206H300N56O62/c1-21-96(6)162(259-175(295)108(18)233-176(296)127(51-37-79-219-204(213)214)240-196(316)147(90-160(284)285)256-193(313)143(86-114-92-223-123-47-32-28-43-119(114)123)252-174(294)106(16)231-179(299)133(61-71-153(270)271)245-192(312)145(88-116-94-225-125-49-34-30-45-121(116)125)257-202(322)165(110(20)264)262-198(318)161(212)109(19)263)199(319)235-107(17)171(291)238-136(64-74-156(276)277)187(307)253-141(83-112-54-56-117(265)57-55-112)190(310)234-101(11)168(288)226-102(12)169(289)236-129(53-39-81-221-206(217)218)189(309)260-163(97(7)22-2)201(321)249-135(63-73-155(274)275)180(300)232-105(15)173(293)250-140(82-95(4)5)197(317)261-164(98(8)23-3)200(320)248-128(52-38-80-220-205(215)216)177(297)229-99(9)166(286)227-103(13)170(290)237-130(58-68-149(208)266)182(302)243-138(66-76-158(280)281)186(306)242-131(59-69-150(209)267)183(303)241-132(60-70-151(210)268)184(304)244-137(65-75-157(278)279)185(305)239-126(50-35-36-78-207)181(301)255-146(89-152(211)269)195(315)246-134(62-72-154(272)273)178(298)230-100(10)167(287)228-104(14)172(292)251-142(85-113-91-222-122-46-31-27-42-118(113)122)191(311)247-139(67-77-159(282)283)188(308)254-144(87-115-93-224-124-48-33-29-44-120(115)124)194(314)258-148(203(323)324)84-111-40-25-24-26-41-111/h24-34,40-49,54-57,91-110,126-148,161-165,222-225,263-265H,21-23,35-39,50-53,58-90,207,212H2,1-20H3,(H2,208,266)(H2,209,267)(H2,210,268)(H2,211,269)(H,226,288)(H,227,286)(H,228,287)(H,229,297)(H,230,298)(H,231,299)(H,232,300)(H,233,296)(H,234,310)(H,235,319)(H,236,289)(H,237,290)(H,238,291)(H,239,305)(H,240,316)(H,241,303)(H,242,306)(H,243,302)(H,244,304)(H,245,312)(H,246,315)(H,247,311)(H,248,320)(H,249,321)(H,250,293)(H,251,292)(H,252,294)(H,253,307)(H,254,308)(H,255,301)(H,256,313)(H,257,322)(H,258,314)(H,259,295)(H,260,309)(H,261,317)(H,262,318)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,323,324)(H4,213,214,219)(H4,215,216,220)(H4,217,218,221)/t96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,161-,162-,163-,164-,165-/m0/s1

InChIKey

PIWMHXAPWWOIPR-UFONHBMRSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134146