2-methyl-6-[[3-methyl-2-[[1-(3-phenylpropanoyl)pyrrolidin-2-yl]carbonylamino]butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[3-methyl-2-[[1-(3-phenylpropanoyl)pyrrolidin-2-yl]carbonylamino]butanoyl]amino]benzoic acid Openeye Name: 2-methyl-6-[[3-methyl-2-[[1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]benzoic acid CAS Name: 2-methyl-6-[[3-methyl-1-oxo-2-[[oxo-[1-(1-oxo-3-phenylpropyl)-2-pyrrolidinyl]methyl]amino]butyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[3-methyl-2-[[1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]benzoic acid Traditional Name: 2-[[2-[(1-hydrocinnamoylprolyl)amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H33N3O5/c1-17(2)24(26(33)28-20-12-7-9-18(3)23(20)27(34)35)29-25(32)21-13-8-16-30(21)22(31)15-14-19-10-5-4-6-11-19/h4-7,9-12,17,21,24H,8,13-16H2,1-3H3,(H,28,33)(H,29,32)(H,34,35)