2-methyl-6-[[3-methyl-2-[[1-(5-phenylpentanoyl)pyrrolidin-2-yl]carbonylamino]butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[3-methyl-2-[[1-(5-phenylpentanoyl)pyrrolidin-2-yl]carbonylamino]butanoyl]amino]benzoic acid Openeye Name: 2-methyl-6-[[3-methyl-2-[[1-(5-phenylpentanoyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]benzoic acid CAS Name: 2-methyl-6-[[3-methyl-1-oxo-2-[[oxo-[1-(1-oxo-5-phenylpentyl)-2-pyrrolidinyl]methyl]amino]butyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[3-methyl-2-[[1-(5-phenylpentanoyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]benzoic acid Traditional Name: 2-methyl-6-[[3-methyl-2-[[1-(5-phenylpentanoyl)prolyl]amino]butanoyl]amino]benzoic acid Formula: C29H37N3O5 MolecularWeight: 507.62118

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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)CCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)CCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H37N3O5/c1-19(2)26(28(35)30-22-15-9-11-20(3)25(22)29(36)37)31-27(34)23-16-10-18-32(23)24(33)17-8-7-14-21-12-5-4-6-13-21/h4-6,9,11-13,15,19,23,26H,7-8,10,14,16-18H2,1-3H3,(H,30,35)(H,31,34)(H,36,37)