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

Systemtic Name: 3-[[3-benzamido-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C34H33N5O5 MolecularWeight: 591.65632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=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)C2=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/C34H33N5O5/c40-31(41)22-28(27-13-7-16-35-23-27)36-33(43)26-14-15-30(29(21-26)37-32(42)24-9-3-1-4-10-24)38-17-8-18-39(20-19-38)34(44)25-11-5-2-6-12-25/h1-7,9-16,21,23,28H,8,17-20,22H2,(H,36,43)(H,37,42)(H,40,41)