tert-butyl N-[(2S)-1-oxidanylidene-6-(2-phenylmethoxyethanoylamino)-1-(quinolin-8-ylamino)hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-6-(2-phenylmethoxyethanoylamino)-1-(quinolin-8-ylamino)hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-5-[(2-benzyloxyacetyl)amino]-1-(8-quinolylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-oxo-6-[(1-oxo-2-phenylmethoxyethyl)amino]-1-(8-quinolinylamino)hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-6-[(2-phenylmethoxyacetyl)amino]-1-(quinolin-8-ylamino)hexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[(2-benzoxyacetyl)amino]-1-(8-quinolylcarbamoyl)pentyl]carbamic acid tert-butyl ester Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)COCC1=CC=CC=C1)C(=O)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)COCC1=CC=CC=C1)C(=O)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C29H36N4O5/c1-29(2,3)38-28(36)33-24(27(35)32-23-16-9-13-22-14-10-18-31-26(22)23)15-7-8-17-30-25(34)20-37-19-21-11-5-4-6-12-21/h4-6,9-14,16,18,24H,7-8,15,17,19-20H2,1-3H3,(H,30,34)(H,32,35)(H,33,36)/t24-/m0/s1