[(2R)-1-[(2S)-2-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [(2R)-1-[(2S)-2-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [(1R)-2-[(2S)-2-[(1-amino-7-isoquinolyl)methylcarbamoyl]azetidin-1-yl]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamic acid CAS Name: [(2R)-1-[(2S)-2-[[(1-amino-7-isoquinolinyl)methylamino]-oxomethyl]-1-azetidinyl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid IUPAC Name: [(2R)-1-[(2S)-2-[(1-aminoisoquinolin-7-yl)methylcarbamoyl]azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [(1R)-2-[(2S)-2-[(1-amino-7-isoquinolyl)methylcarbamoyl]azetidin-1-yl]-2-keto-1-p-anisyl-ethyl]carbamic acid Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCC2C(=O)NCC3=CC4=C(C=C3)C=CN=C4N)NC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC4=C(C=C3)C=CN=C4N)NC(=O)O

InChI

InChI=1S/C25H27N5O5/c1-35-18-6-3-15(4-7-18)13-20(29-25(33)34)24(32)30-11-9-21(30)23(31)28-14-16-2-5-17-8-10-27-22(26)19(17)12-16/h2-8,10,12,20-21,29H,9,11,13-14H2,1H3,(H2,26,27)(H,28,31)(H,33,34)/t20-,21+/m1/s1