(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-[[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-prolyl]amino]propanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-3-phenyl-propanoyl]proline Formula: C44H51N7O7 MolecularWeight: 789.91844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)C(=O)N5CCCC5C(=O)NC(CC6=CC=CC=C6)C(=O)N7CCCC7C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N5CCC[C@H]5C(=O)N[C@H](CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C(=O)O

InChI

InChI=1S/C44H51N7O7/c52-39(33-18-9-21-45-33)47-34(26-30-27-46-32-17-8-7-16-31(30)32)40(53)48-35(24-28-12-3-1-4-13-28)42(55)50-22-10-19-37(50)41(54)49-36(25-29-14-5-2-6-15-29)43(56)51-23-11-20-38(51)44(57)58/h1-8,12-17,27,33-38,45-46H,9-11,18-26H2,(H,47,52)(H,48,53)(H,49,54)(H,57,58)/t33-,34+,35+,36+,37-,38-/m0/s1