Cpp-sfnf

Structural Information

Molecular Formula

C₉₈H₁₆₆N₄₀O₂₂

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C98H166N40O22/c1-53(2)75(89(156)135-69(52-139)87(154)132-66(49-54-21-5-3-6-22-54)85(152)133-67(51-74(104)142)86(153)134-68(92(159)160)50-55-23-7-4-8-24-55)136-84(151)64(36-38-73(103)141)130-88(155)70-33-19-47-137(70)91(158)71-34-20-48-138(71)90(157)65(32-18-46-122-98(115)116)131-82(149)62(31-17-45-121-97(113)114)127-80(147)60(29-15-43-119-95(109)110)128-83(150)63(35-37-72(102)140)129-81(148)61(30-16-44-120-96(111)112)126-79(146)59(28-14-42-118-94(107)108)125-78(145)58(27-10-12-40-100)124-77(144)57(26-9-11-39-99)123-76(143)56(101)25-13-41-117-93(105)106/h3-8,21-24,53,56-71,75,139H,9-20,25-52,99-101H2,1-2H3,(H2,102,140)(H2,103,141)(H2,104,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,147)(H,128,150)(H,129,148)(H,130,155)(H,131,149)(H,132,154)(H,133,152)(H,134,153)(H,135,156)(H,136,151)(H,159,160)(H4,105,106,117)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)(H4,115,116,122)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-/m0/s1

InChIKey

HQHQOZRWFLPBQT-ATJNJGNOSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16186465