Cramp

Structural Information

Molecular Formula

C₁₉₇H₃₃₈N₅₆O₅₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C197H338N56O50/c1-22-112(17)158(210)189(296)247-143(105-254)186(293)235-128(65-49-89-216-197(213)214)170(277)240-136(93-107(7)8)178(285)222-116(21)163(270)218-102-154(263)226-135(92-106(5)6)179(286)243-138(95-109(11)12)181(288)234-127(64-48-88-215-196(211)212)166(273)227-119(56-32-40-80-198)164(271)219-100-150(259)217-101-151(260)224-130(71-77-155(264)265)173(280)232-125(62-38-46-86-204)176(283)250-161(114(19)24-3)191(298)221-104-153(262)225-131(72-78-156(266)267)172(279)228-121(58-34-42-82-200)167(274)241-137(94-108(9)10)180(287)233-120(57-33-41-81-199)165(272)230-124(61-37-45-85-203)175(282)249-160(113(18)23-2)190(297)220-103-152(261)223-129(68-74-146(206)255)171(278)231-126(63-39-47-87-205)177(284)251-162(115(20)25-4)192(299)237-123(60-36-44-84-202)169(276)246-142(99-149(209)258)184(291)245-141(98-118-54-30-27-31-55-118)183(290)244-140(97-117-52-28-26-29-53-117)182(289)236-132(69-75-147(207)256)174(281)229-122(59-35-43-83-201)168(275)242-139(96-110(13)14)185(292)248-159(111(15)16)194(301)253-91-51-67-145(253)187(294)238-133(70-76-148(208)257)193(300)252-90-50-66-144(252)188(295)239-134(195(302)303)73-79-157(268)269/h26-31,52-55,106-116,119-145,158-162,254H,22-25,32-51,56-105,198-205,210H2,1-21H3,(H2,206,255)(H2,207,256)(H2,208,257)(H2,209,258)(H,217,259)(H,218,270)(H,219,271)(H,220,297)(H,221,298)(H,222,285)(H,223,261)(H,224,260)(H,225,262)(H,226,263)(H,227,273)(H,228,279)(H,229,281)(H,230,272)(H,231,278)(H,232,280)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,299)(H,238,294)(H,239,295)(H,240,277)(H,241,274)(H,242,275)(H,243,286)(H,244,290)(H,245,291)(H,246,276)(H,247,296)(H,248,292)(H,249,282)(H,250,283)(H,251,284)(H,264,265)(H,266,267)(H,268,269)(H,302,303)(H4,211,212,215)(H4,213,214,216)/t112-,113-,114-,115-,116-,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-,158-,159-,160-,161-,162-/m0/s1

InChIKey

QBSFTGGUOCPHDM-GDCSACRRSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid

Related CIDs

• CID 155817495