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

Systemtic Name: 2-[(azepan-1-ylcarbonylamino)-(4-methylpentanoyl)amino]-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[(azepane-1-carbonylamino)-(4-methylpentanoyl)amino]-3-(4-benzyloxyphenyl)-2-methyl-propanoic acid CAS Name: 2-[[[1-azepanyl(oxo)methyl]amino]-(4-methyl-1-oxopentyl)amino]-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(azepane-1-carbonylamino)-(4-methylpentanoyl)amino]-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-[(azepane-1-carbonylamino)-(4-methylpentanoyl)amino]-3-(4-benzoxyphenyl)-2-methyl-propionic acid Formula: C30H41N3O5 MolecularWeight: 523.66364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O5/c1-23(2)13-18-27(34)33(31-29(37)32-19-9-4-5-10-20-32)30(3,28(35)36)21-24-14-16-26(17-15-24)38-22-25-11-7-6-8-12-25/h6-8,11-12,14-17,23H,4-5,9-10,13,18-22H2,1-3H3,(H,31,37)(H,35,36)