Nrc-10

Structural Information

Molecular Formula

C₁₁₀H₁₆₉N₃₃O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CC=CC=C7)N

InChI

InChI=1S/C110H169N33O19/c1-13-66(10)92(107(161)132-79(37-24-26-42-112)108(162)143-45-29-40-87(143)104(158)131-77(38-27-43-121-109(114)115)95(149)128-67(11)68(12)144)142-97(151)76(36-23-25-41-111)129-88(145)57-124-105(159)90(64(6)7)141-103(157)86(53-74-56-120-61-127-74)138-102(156)85(52-73-55-119-60-126-73)139-106(160)91(65(8)9)140-89(146)58-123-94(148)84(51-72-54-118-59-125-72)137-101(155)83(50-71-34-21-16-22-35-71)136-99(153)81(47-63(4)5)135-98(152)80(46-62(2)3)134-96(150)78(39-28-44-122-110(116)117)130-100(154)82(49-70-32-19-15-20-33-70)133-93(147)75(113)48-69-30-17-14-18-31-69/h14-22,30-35,54-56,59-67,75-87,90-92H,13,23-29,36-53,57-58,111-113H2,1-12H3,(H,118,125)(H,119,126)(H,120,127)(H,123,148)(H,124,159)(H,128,149)(H,129,145)(H,130,154)(H,131,158)(H,132,161)(H,133,147)(H,134,150)(H,135,152)(H,136,153)(H,137,155)(H,138,156)(H,139,160)(H,140,146)(H,141,157)(H,142,151)(H4,114,115,121)(H4,116,117,122)/t66-,67-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,90-,91-,92-/m0/s1

InChIKey

JAWHBPAGSGRFSG-DYLYSONESA-N

Compound name

(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]-N-[(2S)-5-carbamimidamido-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]pentan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16131774