N-[(2S)-1-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[[3-(cyclopropanecarbonylamino)benzyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H37N3O3/c1-16(2)23(30-26(33)27-12-18-8-19(13-27)10-20(9-18)14-27)25(32)28-15-17-4-3-5-22(11-17)29-24(31)21-6-7-21/h3-5,11,16,18-21,23H,6-10,12-15H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t18?,19?,20?,23-,27?/m0/s1