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

Systemtic Name: 2-[(azepan-1-ylcarbonylamino)-(3-phenylpropanoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[(azepane-1-carbonylamino)-(3-phenylpropanoyl)amino]-3-(4-benzyloxyphenyl)propanoic acid CAS Name: 2-[[[1-azepanyl(oxo)methyl]amino]-(1-oxo-3-phenylpropyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(azepane-1-carbonylamino)-(3-phenylpropanoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-[(azepane-1-carbonylamino)-hydrocinnamoyl-amino]-3-(4-benzoxyphenyl)propionic acid Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NN(C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)NN(C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C32H37N3O5/c36-30(20-17-25-11-5-3-6-12-25)35(33-32(39)34-21-9-1-2-10-22-34)29(31(37)38)23-26-15-18-28(19-16-26)40-24-27-13-7-4-8-14-27/h3-8,11-16,18-19,29H,1-2,9-10,17,20-24H2,(H,33,39)(H,37,38)