3-[[3-benzamido-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C35H35N5O5 MolecularWeight: 605.6829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H35N5O5/c41-32(21-25-9-3-1-4-10-25)40-18-8-17-39(19-20-40)31-15-14-27(22-30(31)38-34(44)26-11-5-2-6-12-26)35(45)37-29(23-33(42)43)28-13-7-16-36-24-28/h1-7,9-16,22,24,29H,8,17-21,23H2,(H,37,45)(H,38,44)(H,42,43)