Nrc-09

Structural Information

Molecular Formula

C₁₀₂H₁₄₃N₂₉O₂₁

SMILES

C[C@@H](C(=O)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)CNC(=O)CNC(=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/C102H143N29O21/c1-55(2)34-72(123-92(143)71(28-21-33-110-102(105)106)121-98(149)76(38-63-24-17-13-18-25-63)122-89(140)70(103)37-62-22-15-12-16-23-62)94(145)124-73(35-56(3)4)95(146)126-77(39-64-26-19-14-20-27-64)99(150)127-79(42-67-46-108-53-116-67)91(142)114-51-86(138)131-87(58(7)8)101(152)130-80(43-68-47-109-54-117-68)100(151)128-78(41-66-45-107-52-115-66)90(141)113-49-84(136)111-48-83(135)112-50-85(137)120-75(40-65-29-31-69(133)32-30-65)97(148)125-74(36-57(5)6)96(147)129-81(44-82(104)134)93(144)119-60(10)88(139)118-59(9)61(11)132/h12-20,22-27,29-32,45-47,52-60,70-81,87,133H,21,28,33-44,48-51,103H2,1-11H3,(H2,104,134)(H,107,115)(H,108,116)(H,109,117)(H,111,136)(H,112,135)(H,113,141)(H,114,142)(H,118,139)(H,119,144)(H,120,137)(H,121,149)(H,122,140)(H,123,143)(H,124,145)(H,125,148)(H,126,146)(H,127,150)(H,128,151)(H,129,147)(H,130,152)(H,131,138)(H4,105,106,110)/t59-,60-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-/m0/s1

InChIKey

YUKVEAPAILBWDH-KVMHTPKUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[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]acetyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]butanediamide

Related CIDs

• CID 16131773