O1-ethyl O4-methyl O1-(phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(5-nitropyridin-2-yl)butane-1,1,4-tricarboxylate

Systemtic Name: O1-ethyl O4-methyl O1-(phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(5-nitropyridin-2-yl)butane-1,1,4-tricarboxylate Openeye Name: O1-benzyl O1-ethyl O4-methyl (4S)-4-(tert-butoxycarbonylamino)-1-(5-nitro-2-pyridyl)butane-1,1,4-tricarboxylate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(5-nitro-2-pyridinyl)butane-1,1,4-tricarboxylic acid O1-ethyl ester O4-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 1-O-ethyl 4-O-methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(5-nitropyridin-2-yl)butane-1,1,4-tricarboxylate Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-1-(5-nitro-2-pyridyl)butane-1,1,4-tricarboxylic acid O1-benzyl ester O1-ethyl ester O4-methyl ester Formula: C27H33N3O10 MolecularWeight: 559.56502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(C(=O)OC)NC(=O)OC(C)(C)C)(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H33N3O10/c1-6-38-23(32)27(21-13-12-19(16-28-21)30(35)36,24(33)39-17-18-10-8-7-9-11-18)15-14-20(22(31)37-5)29-25(34)40-26(2,3)4/h7-13,16,20H,6,14-15,17H2,1-5H3,(H,29,34)/t20-,27?/m0/s1