ethyl 3-[(3S,4R,5S)-4-acetyloxy-3-methoxy-5-[6-methyl-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]oxolan-2-yl]-3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: ethyl 3-[(3S,4R,5S)-4-acetyloxy-3-methoxy-5-[6-methyl-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]oxolan-2-yl]-3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: ethyl 3-[(3S,4R,5S)-4-acetoxy-3-methoxy-5-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)tetrahydrofuran-2-yl]-3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[(3S,4R,5S)-4-acetyloxy-3-methoxy-5-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)-2-oxolanyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3S,4R,5S)-4-acetyloxy-3-methoxy-5-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]-3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(3S,4R,5S)-4-acetoxy-5-(3,5-diketo-6-methyl-1,2,4-triazin-2-yl)-3-methoxy-tetrahydrofuran-2-yl]-3-[(4-nitrobenzoyl)amino]propionic acid ethyl ester Formula: C23H27N5O11 MolecularWeight: 549.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1C(C(C(O1)N2C(=O)NC(=O)C(=N2)C)OC(=O)C)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1[C@@H]([C@H]([C@H](O1)N2C(=O)NC(=O)C(=N2)C)OC(=O)C)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O11/c1-5-37-16(30)10-15(24-21(32)13-6-8-14(9-7-13)28(34)35)17-18(36-4)19(38-12(3)29)22(39-17)27-23(33)25-20(31)11(2)26-27/h6-9,15,17-19,22H,5,10H2,1-4H3,(H,24,32)(H,25,31,33)/t15?,17?,18-,19+,22-/m0/s1