2-[[3-methyl-2-[2-[2-[[1-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]ethanoylamino]pentanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-methyl-2-[2-[2-[[1-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]ethanoylamino]pentanoyl]amino]propanoic acid Openeye Name: 2-[[3-methyl-2-[[2-[2-[[1-[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]pentanoyl]amino]propanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[oxo-[1-[1-oxo-2-[[oxo-[1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]amino]propyl]-2-pyrrolidinyl]methyl]amino]propyl]amino]ethyl]amino]pentyl]amino]propanoic acid IUPAC Name: 2-[[3-methyl-2-[[2-[2-[[1-[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]pentanoyl]amino]propanoic acid Traditional Name: 2-[[3-methyl-2-[[2-[2-[[1-[2-[(1-prolylprolyl)amino]propanoyl]prolyl]amino]propanoylamino]acetyl]amino]pentanoyl]amino]propionic acid Formula: C32H52N8O9 MolecularWeight: 692.80348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C2CCCN2C(=O)C3CCCN3

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C2CCCN2C(=O)C3CCCN3

InChI

InChI=1S/C32H52N8O9/c1-6-17(2)25(29(45)37-20(5)32(48)49)38-24(41)16-34-26(42)18(3)35-27(43)22-11-8-14-39(22)30(46)19(4)36-28(44)23-12-9-15-40(23)31(47)21-10-7-13-33-21/h17-23,25,33H,6-16H2,1-5H3,(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,41)(H,48,49)