2-[(5S,7R)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[(5S,7R)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]-1-adamantyl]ethanoic acid Openeye Name: 2-[(5S,7R)-3-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxycarbonyloxyphenyl)propanoyl]amino]-1-adamantyl]acetic acid CAS Name: 2-[(5S,7R)-3-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy-oxomethoxy]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-adamantyl]acetic acid IUPAC Name: 2-[(5S,7R)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]-1-adamantyl]acetic acid Traditional Name: 2-[(5S,7R)-3-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxycarbonyloxyphenyl)propanoyl]amino]-1-adamantyl]acetic acid Formula: C31H44N2O8 MolecularWeight: 572.68966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)C(=O)NC23CC4CC(C2)CC(C4)(C3)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)O

InChI

InChI=1S/C31H44N2O8/c1-28(2,3)40-26(37)32-23(12-19-7-9-22(10-8-19)39-27(38)41-29(4,5)6)25(36)33-31-15-20-11-21(16-31)14-30(13-20,18-31)17-24(34)35/h7-10,20-21,23H,11-18H2,1-6H3,(H,32,37)(H,33,36)(H,34,35)/t20-,21+,23-,30?,31?/m0/s1