Dp-180 (seqid:2)

Structural Information

Molecular Formula

C₂₀₂H₂₉₈N₅₀O₆₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)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](CCCCN)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N

InChI

InChI=1S/C202H298N50O64/c1-19-101(15)164(199(312)246-145(84-156(212)265)192(305)229-126(53-63-158(268)269)172(285)220-119(42-30-32-68-203)170(283)241-142(81-110-89-213-94-217-110)191(304)236-137(77-106-44-46-111(258)47-45-106)187(300)234-134(73-98(9)10)184(297)228-129(56-66-161(274)275)178(291)244-146(85-163(278)279)196(309)251-165(102(16)20-2)200(313)249-149(93-256)202(315)316)250-180(293)124(51-61-153(209)262)224-174(287)128(55-65-160(272)273)227-185(298)135(74-99(11)12)235-189(302)140(79-108-87-215-117-40-28-25-37-113(108)117)238-176(289)121(48-58-150(206)259)222-171(284)125(52-62-157(266)267)219-167(280)103(17)218-181(294)131(70-95(3)4)231-175(288)123(50-60-152(208)261)225-182(295)132(71-96(5)6)232-169(282)120(43-31-33-69-204)221-188(301)139(78-107-86-214-116-39-27-24-36-112(107)116)240-193(306)143(82-154(210)263)243-194(307)144(83-155(211)264)242-190(303)141(80-109-88-216-118-41-29-26-38-114(109)118)239-177(290)122(49-59-151(207)260)223-173(286)127(54-64-159(270)271)226-183(296)133(72-97(7)8)233-186(299)136(75-100(13)14)245-201(314)166(104(18)257)252-195(308)138(76-105-34-22-21-23-35-105)237-198(311)148(92-255)248-179(292)130(57-67-162(276)277)230-197(310)147(91-254)247-168(281)115(205)90-253/h21-29,34-41,44-47,86-89,94-104,115,119-149,164-166,214-216,253-258H,19-20,30-33,42-43,48-85,90-93,203-205H2,1-18H3,(H2,206,259)(H2,207,260)(H2,208,261)(H2,209,262)(H2,210,263)(H2,211,264)(H2,212,265)(H,213,217)(H,218,294)(H,219,280)(H,220,285)(H,221,301)(H,222,284)(H,223,286)(H,224,287)(H,225,295)(H,226,296)(H,227,298)(H,228,297)(H,229,305)(H,230,310)(H,231,288)(H,232,282)(H,233,299)(H,234,300)(H,235,302)(H,236,304)(H,237,311)(H,238,289)(H,239,290)(H,240,306)(H,241,283)(H,242,303)(H,243,307)(H,244,291)(H,245,314)(H,246,312)(H,247,281)(H,248,292)(H,249,313)(H,250,293)(H,251,309)(H,252,308)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,315,316)/t101-,102-,103-,104+,115-,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-,145-,146-,147-,148-,149-,164-,165-,166-/m0/s1

InChIKey

ZPZJEEGJPKNCOM-LZGXBFJGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133588