Dp-129

Structural Information

Molecular Formula

C₂₁₁H₃₅₀N₆₄O₅₈S

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[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)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](CC4=CN=CN4)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

InChI

InChI=1S/C211H350N64O58S/c1-33-108(24)167(205(330)254-124(48-39-41-73-213)181(306)250-131(59-67-154(217)282)186(311)257-137(78-99(6)7)193(318)252-129(57-65-152(215)280)179(304)238-111(27)172(297)244-127(51-44-76-232-211(227)228)189(314)274-169(110(26)35-3)207(332)268-136(77-98(4)5)190(315)241-113(29)174(299)271-165(106(20)21)203(328)255-135(63-71-163(292)293)185(310)246-126(50-43-75-231-210(225)226)183(308)264-144(85-117-52-54-120(278)55-53-117)197(322)261-139(80-101(10)11)191(316)247-123(47-38-40-72-212)182(307)267-149(90-164(294)295)201(326)249-128(56-64-151(214)279)176(301)235-93-159(287)234-94-160(288)243-150(96-334)171(222)296)270-161(289)95-236-177(302)145(86-118-91-233-122-46-37-36-45-121(118)122)269-204(329)166(107(22)23)272-208(333)170(115(31)276)275-202(327)143(84-105(18)19)258-187(312)133(61-69-156(219)284)253-194(319)140(81-102(12)13)260-195(320)141(82-103(14)15)262-198(323)146(87-119-92-229-97-237-119)265-188(313)132(60-68-155(218)283)251-184(309)130(58-66-153(216)281)245-173(298)112(28)239-180(305)134(62-70-162(290)291)256-206(331)168(109(25)34-2)273-175(300)114(30)240-178(303)125(49-42-74-230-209(223)224)248-192(317)138(79-100(8)9)259-196(321)142(83-104(16)17)263-200(325)148(89-158(221)286)266-199(324)147(88-157(220)285)242-116(32)277/h36-37,45-46,52-55,91-92,97-115,123-150,165-170,233,276,278,334H,33-35,38-44,47-51,56-90,93-96,212-213H2,1-32H3,(H2,214,279)(H2,215,280)(H2,216,281)(H2,217,282)(H2,218,283)(H2,219,284)(H2,220,285)(H2,221,286)(H2,222,296)(H,229,237)(H,234,287)(H,235,301)(H,236,302)(H,238,304)(H,239,305)(H,240,303)(H,241,315)(H,242,277)(H,243,288)(H,244,297)(H,245,298)(H,246,310)(H,247,316)(H,248,317)(H,249,326)(H,250,306)(H,251,309)(H,252,318)(H,253,319)(H,254,330)(H,255,328)(H,256,331)(H,257,311)(H,258,312)(H,259,321)(H,260,320)(H,261,322)(H,262,323)(H,263,325)(H,264,308)(H,265,313)(H,266,324)(H,267,307)(H,268,332)(H,269,329)(H,270,289)(H,271,299)(H,272,333)(H,273,300)(H,274,314)(H,275,327)(H,290,291)(H,292,293)(H,294,295)(H4,223,224,230)(H4,225,226,231)(H4,227,228,232)/t108-,109-,110-,111-,112-,113-,114-,115+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,165-,166-,167-,168-,169-,170-/m0/s1

InChIKey

RNTQUPILHYVICY-CKKKSTPXSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-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-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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 16131789