3-[[3-azanyl-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-azanyl-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-amino-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)N

InChI

InChI=1S/C25H32N6O5/c26-20-15-18(24(34)28-21(16-23(32)33)19-3-1-6-27-17-19)4-5-22(20)29-7-2-8-30(10-9-29)25(35)31-11-13-36-14-12-31/h1,3-6,15,17,21H,2,7-14,16,26H2,(H,28,34)(H,32,33)