Cyclopentylpropylamide.epsilon.glutamate-aminomethylbenzamide--nnytslihslieesqnqqekneqelleldk

Structural Information

Molecular Formula

C₁₇₆H₂₇₄N₄₄O₆₅

SMILES

CC[C@H](C)[C@@H](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)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C3=CC=C(C=C3)CN(CCC(=O)O)C(=O)CCC(C(=O)O)NC(=O)CCC4CCCC4

InChI

InChI=1S/C176H274N44O65/c1-16-87(13)142(217-166(273)112(67-85(9)10)206-170(277)122(79-222)215-160(267)115(70-94-76-187-81-188-94)213-173(280)143(88(14)17-2)218-167(274)113(68-86(11)12)207-171(278)123(80-223)216-174(281)144(89(15)224)219-168(275)114(69-91-30-35-95(225)36-31-91)208-164(271)119(74-131(186)233)211-163(270)116(71-128(183)230)202-145(252)93-33-28-92(29-34-93)77-220(63-60-140(248)249)133(235)53-41-108(176(284)285)189-132(234)52-32-90-24-18-19-25-90)172(279)200-106(47-59-139(246)247)152(259)195-105(46-58-138(244)245)156(263)214-121(78-221)169(276)199-100(40-51-127(182)229)153(260)210-118(73-130(185)232)161(268)196-99(39-50-126(181)228)149(256)191-97(37-48-124(179)226)147(254)193-101(42-54-134(236)237)150(257)190-96(26-20-22-61-177)146(253)209-117(72-129(184)231)162(269)198-102(43-55-135(238)239)151(258)192-98(38-49-125(180)227)148(255)194-103(44-56-136(240)241)154(261)203-110(65-83(5)6)158(265)205-109(64-82(3)4)157(264)197-104(45-57-137(242)243)155(262)204-111(66-84(7)8)159(266)212-120(75-141(250)251)165(272)201-107(175(282)283)27-21-23-62-178/h28-31,33-36,76,81-90,96-123,142-144,221-225H,16-27,32,37-75,77-80,177-178H2,1-15H3,(H2,179,226)(H2,180,227)(H2,181,228)(H2,182,229)(H2,183,230)(H2,184,231)(H2,185,232)(H2,186,233)(H,187,188)(H,189,234)(H,190,257)(H,191,256)(H,192,258)(H,193,254)(H,194,255)(H,195,259)(H,196,268)(H,197,264)(H,198,269)(H,199,276)(H,200,279)(H,201,272)(H,202,252)(H,203,261)(H,204,262)(H,205,265)(H,206,277)(H,207,278)(H,208,271)(H,209,253)(H,210,260)(H,211,270)(H,212,266)(H,213,280)(H,214,263)(H,215,267)(H,216,281)(H,217,273)(H,218,274)(H,219,275)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,282,283)(H,284,285)/t87-,88-,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,142-,143-,144-/m0/s1

InChIKey

SCOPLGAVXQXNKF-FUCIJFCZSA-N

Compound name

(2S)-6-amino-2-[[(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-[[4-[[[4-carboxy-4-(3-cyclopentylpropanoylamino)butanoyl]-(2-carboxyethyl)amino]methyl]benzoyl]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-(1H-imidazol-5-yl)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]-3-carboxypropanoyl]amino]hexanoic acid

Related CIDs

• CID 16130217