2-azanyl-3-[(2-methyl-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-methyl-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbonylamino]propanoic acid Openeye Name: 2-amino-3-[(2-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoic acid CAS Name: 2-amino-3-[[(2-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[(2-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoic acid Traditional Name: 2-amino-3-[(1-keto-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propionic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2(C1=O)CCN(CC2)C(=O)NCC(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CN1CN(C2(C1=O)CCN(CC2)C(=O)NCC(C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5O4/c1-21-12-23(13-5-3-2-4-6-13)18(16(21)26)7-9-22(10-8-18)17(27)20-11-14(19)15(24)25/h2-6,14H,7-12,19H2,1H3,(H,20,27)(H,24,25)