tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-tert-butoxy-2-[[(2S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[[(2S)-1-[2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-tert-butoxy-2-[[(2S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]prolyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C65H82N8O11 MolecularWeight: 1151.39358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)OC(C)(C)C)NC(=O)C(C(C)OC(C)(C)C)NC(=O)C4CCCN4C(=O)CNC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC(C)(C)C

InChI

InChI=1S/C65H82N8O11/c1-39(2)33-50(58(76)69-52(35-42-36-66-49-28-18-17-23-43(42)49)61(79)73-32-20-30-54(73)62(80)84-65(7,8)9)68-60(78)56(40(3)83-64(4,5)6)71-59(77)53-29-19-31-72(53)55(74)37-67-57(75)51(34-41-21-11-10-12-22-41)70-63(81)82-38-48-46-26-15-13-24-44(46)45-25-14-16-27-47(45)48/h10-18,21-28,36,39-40,48,50-54,56,66H,19-20,29-35,37-38H2,1-9H3,(H,67,75)(H,68,78)(H,69,76)(H,70,81)(H,71,77)/t40-,50+,51+,52+,53+,54+,56+/m1/s1