(2S)-2-[[(3S)-2-(4-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[[(3S)-2-(4-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[[(3S)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[[[(3S)-2-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[[(3S)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-[[(3S)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phosphonooxy-propionic acid Formula: C20H20N3O10P MolecularWeight: 493.360661

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N[C@@H](COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C20H20N3O10P/c24-18(21-16(20(26)27)11-33-34(30,31)32)17-9-13-3-1-2-4-14(13)10-22(17)19(25)12-5-7-15(8-6-12)23(28)29/h1-8,16-17H,9-11H2,(H,21,24)(H,26,27)(H2,30,31,32)/t16-,17-/m0/s1