Dp-130

Structural Information

Molecular Formula

C₂₁₈H₃₆₁N₆₇O₆₁S₂

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)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C218H361N67O61S2/c1-33-111(24)173(212(343)264-127(48-39-41-73-220)188(319)260-134(59-67-158(224)292)193(324)267-140(78-102(6)7)200(331)262-132(57-65-156(222)290)186(317)247-114(27)178(309)254-130(51-44-76-239-218(234)235)196(327)284-175(113(26)35-3)214(345)278-139(77-101(4)5)197(328)250-116(29)180(311)281-171(109(20)21)210(341)265-138(63-71-169(304)305)192(323)256-129(50-43-75-238-217(232)233)190(321)274-147(85-120-52-54-123(288)55-53-120)204(335)271-142(80-104(10)11)198(329)257-126(47-38-40-72-219)189(320)277-152(90-170(306)307)208(339)259-131(56-64-155(221)289)182(313)243-93-163(297)242-96-166(300)253-153(98-347)177(229)308)280-167(301)97-245-183(314)148(86-121-91-240-125-46-37-36-45-124(121)125)279-211(342)172(110(22)23)282-215(346)176(118(31)286)285-209(340)146(84-108(18)19)268-194(325)136(61-69-160(226)294)263-201(332)143(81-105(12)13)270-202(333)144(82-106(14)15)272-205(336)149(87-122-92-236-100-246-122)275-195(326)135(60-68-159(225)293)261-191(322)133(58-66-157(223)291)255-179(310)115(28)248-187(318)137(62-70-168(302)303)266-213(344)174(112(25)34-2)283-181(312)117(30)249-185(316)128(49-42-74-237-216(230)231)258-199(330)141(79-103(8)9)269-203(334)145(83-107(16)17)273-207(338)151(89-162(228)296)276-206(337)150(88-161(227)295)252-165(299)95-241-164(298)94-244-184(315)154(99-348)251-119(32)287/h36-37,45-46,52-55,91-92,100-118,126-154,171-176,240,286,288,347-348H,33-35,38-44,47-51,56-90,93-99,219-220H2,1-32H3,(H2,221,289)(H2,222,290)(H2,223,291)(H2,224,292)(H2,225,293)(H2,226,294)(H2,227,295)(H2,228,296)(H2,229,308)(H,236,246)(H,241,298)(H,242,297)(H,243,313)(H,244,315)(H,245,314)(H,247,317)(H,248,318)(H,249,316)(H,250,328)(H,251,287)(H,252,299)(H,253,300)(H,254,309)(H,255,310)(H,256,323)(H,257,329)(H,258,330)(H,259,339)(H,260,319)(H,261,322)(H,262,331)(H,263,332)(H,264,343)(H,265,341)(H,266,344)(H,267,324)(H,268,325)(H,269,334)(H,270,333)(H,271,335)(H,272,336)(H,273,338)(H,274,321)(H,275,326)(H,276,337)(H,277,320)(H,278,345)(H,279,342)(H,280,301)(H,281,311)(H,282,346)(H,283,312)(H,284,327)(H,285,340)(H,302,303)(H,304,305)(H,306,307)(H4,230,231,237)(H4,232,233,238)(H4,234,235,239)/t111-,112-,113-,114-,115-,116-,117-,118+,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-,151-,152-,153-,154-,171-,172-,173-,174-,175-,176-/m0/s1

InChIKey

JLANMYLCCJXWOY-LQGGNKOOSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]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-[[(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 16131790