1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Openeye Name: 1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea CAS Name: 1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Traditional Name: 1-(1-adamantyl)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2CNC(=O)NC45CC6CC(C4)CC(C6)C5)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CNC(=O)NC45CC6CC(C4)CC(C6)C5)N)C)O

InChI

InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1