Fiqylapliphavkaisdli-nh2

Structural Information

Molecular Formula

C₁₀₈H₁₇₃N₂₅O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C108H173N25O25/c1-20-59(13)85(89(112)139)128-99(149)74(46-56(7)8)121-98(148)78(51-83(137)138)123-101(151)79(53-134)126-106(156)86(60(14)21-2)129-91(141)64(18)115-93(143)71(33-27-28-42-109)118-104(154)84(58(11)12)127-90(140)63(17)116-96(146)77(50-68-52-113-54-114-68)125-103(153)81-35-30-44-133(81)108(158)88(62(16)23-4)131-100(150)75(47-57(9)10)124-102(152)80-34-29-43-132(80)107(157)65(19)117-95(145)73(45-55(5)6)120-97(147)76(49-67-36-38-69(135)39-37-67)122-94(144)72(40-41-82(111)136)119-105(155)87(61(15)22-3)130-92(142)70(110)48-66-31-25-24-26-32-66/h24-26,31-32,36-39,52,54-65,70-81,84-88,134-135H,20-23,27-30,33-35,40-51,53,109-110H2,1-19H3,(H2,111,136)(H2,112,139)(H,113,114)(H,115,143)(H,116,146)(H,117,145)(H,118,154)(H,119,155)(H,120,147)(H,121,148)(H,122,144)(H,123,151)(H,124,152)(H,125,153)(H,126,156)(H,127,140)(H,128,149)(H,129,141)(H,130,142)(H,131,150)(H,137,138)/t59-,60-,61-,62-,63-,64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-,86-,87-,88-/m0/s1

InChIKey

MQRMIDJSNPMZQS-YNYUXEIOSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16130866