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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O5/c1-22(2)12-17-27(33)32(30-29(36)31-18-8-3-4-9-19-31)26(28(34)35)20-23-13-15-25(16-14-23)37-21-24-10-6-5-7-11-24/h5-7,10-11,13-16,22,26H,3-4,8-9,12,17-21H2,1-2H3,(H,30,36)(H,34,35)