tert-butyl N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propylamino]-3-oxidanylidene-1-phenyl-propyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propylamino]-3-oxidanylidene-1-phenyl-propyl]carbamate Openeye Name: tert-butyl N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propylamino]-3-oxo-1-phenyl-propyl]carbamate CAS Name: N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propylamino]-3-oxo-1-phenylpropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propylamino]-3-oxo-1-phenylpropyl]carbamate Traditional Name: N-[(1S)-3-[3-[4-(2-hydroxyethyl)-1-keto-3,4-dihydroisoquinolin-2-yl]propylamino]-3-keto-1-phenyl-propyl]carbamic acid tert-butyl ester Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NCCCN1CC(C2=CC=CC=C2C1=O)CCO)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCCN1CC(C2=CC=CC=C2C1=O)CCO)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O5/c1-28(2,3)36-27(35)30-24(20-10-5-4-6-11-20)18-25(33)29-15-9-16-31-19-21(14-17-32)22-12-7-8-13-23(22)26(31)34/h4-8,10-13,21,24,32H,9,14-19H2,1-3H3,(H,29,33)(H,30,35)/t21?,24-/m0/s1