Rvvrdpqgirawvawknr

Structural Information

Molecular Formula

C₉₉H₁₅₉N₃₅O₂₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C99H159N35O23/c1-11-51(8)78(130-73(137)47-118-82(143)64(33-34-71(102)135)122-89(150)70-32-22-40-134(70)94(155)69(44-74(138)139)129-85(146)63(30-20-38-114-98(108)109)123-91(152)76(49(4)5)133-92(153)77(50(6)7)131-81(142)58(101)25-18-36-112-96(104)105)93(154)124-62(29-19-37-113-97(106)107)83(144)119-52(9)79(140)127-67(42-55-46-117-60-27-15-13-24-57(55)60)88(149)132-75(48(2)3)90(151)120-53(10)80(141)126-66(41-54-45-116-59-26-14-12-23-56(54)59)86(147)121-61(28-16-17-35-100)84(145)128-68(43-72(103)136)87(148)125-65(95(156)157)31-21-39-115-99(110)111/h12-15,23-24,26-27,45-46,48-53,58,61-70,75-78,116-117H,11,16-22,25,28-44,47,100-101H2,1-10H3,(H2,102,135)(H2,103,136)(H,118,143)(H,119,144)(H,120,151)(H,121,147)(H,122,150)(H,123,152)(H,124,154)(H,125,148)(H,126,141)(H,127,140)(H,128,145)(H,129,146)(H,130,137)(H,131,142)(H,132,149)(H,133,153)(H,138,139)(H,156,157)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t51-,52-,53-,58-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-,78-/m0/s1

InChIKey

XMENEXQYGMFEHG-ZYIDSTGKSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16129748