(3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-4-[[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-keto-butyric acid Formula: C43H48N6O8 MolecularWeight: 776.87662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N[C@H](CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)NC

InChI

InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)49-35(23-30-25-45-32-17-11-10-16-31(30)32)40(54)47-34(22-27-18-19-28-14-8-9-15-29(28)20-27)39(53)48-36(24-37(50)51)41(55)46-33(38(52)44-4)21-26-12-6-5-7-13-26/h5-20,25,33-36,45H,21-24H2,1-4H3,(H,44,52)(H,46,55)(H,47,54)(H,48,53)(H,49,56)(H,50,51)/t33?,34-,35+,36-/m1/s1