Twmewdreinnytsliyslieesqnqqekneqelleld

Structural Information

Molecular Formula

C₂₀₂H₃₀₅N₅₁O₇₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)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](CC2=CC=C(C=C2)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](CCC(=O)O)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](CC(=O)N)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](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C202H305N51O72S/c1-19-96(14)161(197(320)232-123(53-65-157(280)281)173(296)225-122(52-64-156(278)279)178(301)247-140(88-254)194(317)231-116(46-58-146(208)263)174(297)241-135(81-148(210)265)186(309)228-115(45-57-145(207)262)170(293)221-113(43-55-143(205)260)168(291)223-117(47-59-151(268)269)171(294)219-111(33-26-27-68-203)167(290)240-134(80-147(209)264)187(310)230-118(48-60-152(270)271)172(295)222-114(44-56-144(206)261)169(292)224-119(49-61-153(272)273)175(298)233-127(72-92(6)7)182(305)235-126(71-91(4)5)181(304)229-121(51-63-155(276)277)176(299)234-128(73-93(8)9)183(306)246-139(201(324)325)85-160(286)287)251-191(314)129(74-94(10)11)236-195(318)141(89-255)248-184(307)131(76-100-35-39-104(258)40-36-100)244-198(321)163(98(16)21-3)252-192(315)130(75-95(12)13)237-196(319)142(90-256)249-200(323)164(99(17)257)253-193(316)132(77-101-37-41-105(259)42-38-101)238-188(311)136(82-149(211)266)242-189(312)137(83-150(212)267)245-199(322)162(97(15)20-2)250-180(303)124(54-66-158(282)283)227-166(289)112(34-28-69-215-202(213)214)220-190(313)138(84-159(284)285)243-185(308)133(79-103-87-217-110-32-25-23-30-107(103)110)239-177(300)120(50-62-154(274)275)226-179(302)125(67-70-326-18)218-165(288)108(204)78-102-86-216-109-31-24-22-29-106(102)109/h22-25,29-32,35-42,86-87,91-99,108,111-142,161-164,216-217,254-259H,19-21,26-28,33-34,43-85,88-90,203-204H2,1-18H3,(H2,205,260)(H2,206,261)(H2,207,262)(H2,208,263)(H2,209,264)(H2,210,265)(H2,211,266)(H2,212,267)(H,218,288)(H,219,294)(H,220,313)(H,221,293)(H,222,295)(H,223,291)(H,224,292)(H,225,296)(H,226,302)(H,227,289)(H,228,309)(H,229,304)(H,230,310)(H,231,317)(H,232,320)(H,233,298)(H,234,299)(H,235,305)(H,236,318)(H,237,319)(H,238,311)(H,239,300)(H,240,290)(H,241,297)(H,242,312)(H,243,308)(H,244,321)(H,245,322)(H,246,306)(H,247,301)(H,248,307)(H,249,323)(H,250,303)(H,251,314)(H,252,315)(H,253,316)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,324,325)(H4,213,214,215)/t96-,97-,98-,99+,108-,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-,140-,141-,142-,161-,162-,163-,164-/m0/s1

InChIKey

NMACNCNMQCGIFS-FMGBHXMWSA-N

Compound name

(2S)-2-[[(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)-4-amino-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)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]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-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]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]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 129909021