4-methyl-2-[[3-phenyl-2-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]ethanoylamino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]ethanoylamino]propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[[1-oxo-2-[[oxo-[1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]-3-phenylpropyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-phenyl-2-[[2-[(1-prolylprolyl)amino]acetyl]amino]propanoyl]amino]valeric acid Formula: C27H39N5O6 MolecularWeight: 529.62846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3

InChI

InChI=1S/C27H39N5O6/c1-17(2)14-21(27(37)38)31-24(34)20(15-18-8-4-3-5-9-18)30-23(33)16-29-25(35)22-11-7-13-32(22)26(36)19-10-6-12-28-19/h3-5,8-9,17,19-22,28H,6-7,10-16H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,37,38)