Dp-138

Structural Information

Molecular Formula

C₂₀₇H₃₄₉N₆₃O₅₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C207H349N63O57S/c1-37-105(27)163(201(323)248-119(49-43-44-70-208)179(301)242-125(55-64-148(212)277)183(305)251-133(75-96(9)10)191(313)246-122(52-61-145(209)274)177(299)233-109(31)169(291)239-121(51-46-72-226-207(222)223)187(309)269-166(108(30)40-4)203(325)260-132(74-95(7)8)188(310)236-111(33)171(293)265-160(102(21)22)168(219)290)263-157(286)89-230-173(295)139(81-115-85-227-118-48-42-41-47-117(115)118)261-200(322)162(104(25)26)267-205(327)167(113(35)272)270-198(320)138(80-101(19)20)252-184(306)128(58-67-151(215)280)247-192(314)135(77-98(13)14)254-193(315)136(78-99(15)16)255-195(317)140(82-116-86-224-93-232-116)257-185(307)126(56-65-149(213)278)244-180(302)123(53-62-146(210)275)240-170(292)110(32)234-178(300)130(60-69-159(288)289)250-202(324)165(107(29)39-3)268-172(294)112(34)235-176(298)120(50-45-71-225-206(220)221)241-190(312)134(76-97(11)12)253-194(316)137(79-100(17)18)256-196(318)142(84-154(218)283)259-197(319)141(83-153(217)282)258-186(308)127(57-66-150(214)279)245-181(303)124(54-63-147(211)276)243-182(304)129(59-68-152(216)281)249-199(321)161(103(23)24)266-204(326)164(106(28)38-2)264-158(287)90-231-174(296)143(91-271)262-189(311)131(73-94(5)6)238-156(285)88-228-155(284)87-229-175(297)144(92-328)237-114(36)273/h41-42,47-48,85-86,93-113,119-144,160-167,227,271-272,328H,37-40,43-46,49-84,87-92,208H2,1-36H3,(H2,209,274)(H2,210,275)(H2,211,276)(H2,212,277)(H2,213,278)(H2,214,279)(H2,215,280)(H2,216,281)(H2,217,282)(H2,218,283)(H2,219,290)(H,224,232)(H,228,284)(H,229,297)(H,230,295)(H,231,296)(H,233,299)(H,234,300)(H,235,298)(H,236,310)(H,237,273)(H,238,285)(H,239,291)(H,240,292)(H,241,312)(H,242,301)(H,243,304)(H,244,302)(H,245,303)(H,246,313)(H,247,314)(H,248,323)(H,249,321)(H,250,324)(H,251,305)(H,252,306)(H,253,316)(H,254,315)(H,255,317)(H,256,318)(H,257,307)(H,258,308)(H,259,319)(H,260,325)(H,261,322)(H,262,311)(H,263,286)(H,264,287)(H,265,293)(H,266,326)(H,267,327)(H,268,294)(H,269,309)(H,270,320)(H,288,289)(H4,220,221,225)(H4,222,223,226)/t105-,106-,107-,108-,109-,110-,111-,112-,113+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,160-,161-,162-,163-,164-,165-,166-,167-/m0/s1

InChIKey

FHYMWOIZVFTWNK-AKIMDQMISA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131793