2-[[2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[[2-(azepane-1-carbonylamino)-3-methyl-pentanoyl]amino]-3-(4-benzyloxyphenyl)propanoic acid CAS Name: 2-[[2-[[1-azepanyl(oxo)methyl]amino]-3-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-(azepane-1-carbonylamino)-3-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-[[2-(azepane-1-carbonylamino)-3-methyl-pentanoyl]amino]-3-(4-benzoxyphenyl)propionic acid Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NC(=O)N3CCCCCC3

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NC(=O)N3CCCCCC3

InChI

InChI=1S/C29H39N3O5/c1-3-21(2)26(31-29(36)32-17-9-4-5-10-18-32)27(33)30-25(28(34)35)19-22-13-15-24(16-14-22)37-20-23-11-7-6-8-12-23/h6-8,11-16,21,25-26H,3-5,9-10,17-20H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)