methyl 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-(tert-butoxycarbonylamino)propanoyl]amino]acetate CAS Name: 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate Traditional Name: 2-[[(2R,3R)-3-(1-adamantyl)-2-azido-3-(tert-butoxycarbonylamino)propanoyl]amino]acetic acid methyl ester Formula: C21H33N5O5 MolecularWeight: 435.51722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C(=O)NCC(=O)OC)N=[N+]=[N-])C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]([C@H](C(=O)NCC(=O)OC)N=[N+]=[N-])C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H33N5O5/c1-20(2,3)31-19(29)24-17(16(25-26-22)18(28)23-11-15(27)30-4)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14,16-17H,5-11H2,1-4H3,(H,23,28)(H,24,29)/t12?,13?,14?,16-,17+,21?/m1/s1