tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: (2-chlorophenyl)methyl N-[(5S)-5-(tert-butoxycarbonylamino)-6-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[(2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-1-[[(1R)-1-isocyanato-2-methylpropyl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(1R)-1-isocyanato-2-methylpropyl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(5S)-5-(tert-butoxycarbonylamino)-6-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-6-keto-hexyl]carbamic acid (2-chlorobenzyl) ester Formula: C24H35ClN4O6 MolecularWeight: 511.0109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1Cl)NC(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)NC(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C24H35ClN4O6/c1-16(2)20(27-15-30)29-21(31)19(28-23(33)35-24(3,4)5)12-8-9-13-26-22(32)34-14-17-10-6-7-11-18(17)25/h6-7,10-11,16,19-20H,8-9,12-14H2,1-5H3,(H,26,32)(H,28,33)(H,29,31)/t19-,20-/m0/s1