tert-butyl 2-[2,2-dimethoxyethyl-[(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[2,2-dimethoxyethyl-[(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)butanoyl]-(2,2-dimethoxyethyl)amino]acetate CAS Name: 2-[2,2-dimethoxyethyl-[(2S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,2-dimethoxyethyl-[(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)butanoyl]-(2,2-dimethoxyethyl)amino]acetic acid tert-butyl ester Formula: C27H43N3O9 MolecularWeight: 553.64502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CC(OC)OC)C(=O)C(CCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CN(CC(OC)OC)C(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H43N3O9/c1-26(2,3)38-21(31)16-30(17-22(35-7)36-8)23(32)20(14-15-28-24(33)39-27(4,5)6)29-25(34)37-18-19-12-10-9-11-13-19/h9-13,20,22H,14-18H2,1-8H3,(H,28,33)(H,29,34)/t20-/m0/s1