Chembl440443

Structural Information

Molecular Formula

C₂₀₅H₃₁₉N₅₉O₇₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)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](CCC(=O)O)C(=O)N[C@@H](CO)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](CCC(=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](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C205H319N59O76/c1-16-94(10)159(260-182(320)112(37-28-76-225-205(220)221)231-193(331)139(90-267)259-200(338)162(98(14)269)263-191(329)130(80-100-38-40-103(271)41-39-100)250-177(315)123(52-67-152(290)291)244-188(326)134(84-145(212)277)255-198(336)161(96(12)18-3)261-183(321)127(56-71-156(298)299)241-165(303)110(35-26-74-223-203(216)217)230-189(327)135(85-157(300)301)253-186(324)131(81-101-86-226-106-31-21-19-29-104(101)106)251-178(316)122(51-66-151(288)289)240-175(313)119(48-63-148(282)283)242-185(323)132(82-102-87-227-107-32-22-20-30-105(102)107)254-199(337)163(99(15)270)264-195(333)158(213)97(13)268)197(335)247-126(55-70-155(296)297)181(319)258-138(89-266)194(332)249-129(78-92(6)7)190(328)262-160(95(11)17-2)196(334)246-111(36-27-75-224-204(218)219)166(304)236-125(54-69-154(294)295)180(318)257-137(88-265)192(330)245-116(45-60-143(210)275)171(309)238-118(47-62-147(280)281)173(311)233-113(42-57-140(207)272)168(306)232-114(43-58-141(208)273)169(307)237-117(46-61-146(278)279)172(310)228-108(33-23-24-72-206)167(305)252-133(83-144(211)276)187(325)243-120(49-64-149(284)285)174(312)234-115(44-59-142(209)274)170(308)239-121(50-65-150(286)287)176(314)248-128(77-91(4)5)184(322)229-109(34-25-73-222-202(214)215)164(302)235-124(53-68-153(292)293)179(317)256-136(201(339)340)79-93(8)9/h19-22,29-32,38-41,86-87,91-99,108-139,158-163,226-227,265-271H,16-18,23-28,33-37,42-85,88-90,206,213H2,1-15H3,(H2,207,272)(H2,208,273)(H2,209,274)(H2,210,275)(H2,211,276)(H2,212,277)(H,228,310)(H,229,322)(H,230,327)(H,231,331)(H,232,306)(H,233,311)(H,234,312)(H,235,302)(H,236,304)(H,237,307)(H,238,309)(H,239,308)(H,240,313)(H,241,303)(H,242,323)(H,243,325)(H,244,326)(H,245,330)(H,246,334)(H,247,335)(H,248,314)(H,249,332)(H,250,315)(H,251,316)(H,252,305)(H,253,324)(H,254,337)(H,255,336)(H,256,317)(H,257,318)(H,258,319)(H,259,338)(H,260,320)(H,261,321)(H,262,328)(H,263,329)(H,264,333)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,339,340)(H4,214,215,222)(H4,216,217,223)(H4,218,219,224)(H4,220,221,225)/t94-,95-,96-,97+,98+,99+,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-,133-,134-,135-,136-,137-,138-,139-,158-,159-,160-,161-,162-,163-/m0/s1

InChIKey

VTBFEGAIAAKXIN-NGVKIRPASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-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]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 44450280