(3S)-N-(1-adamantylmethyl)-3-(aminocarbonylamino)-3-(2-chlorophenyl)propanamide

Systemtic Name: (3S)-N-(1-adamantylmethyl)-3-(aminocarbonylamino)-3-(2-chlorophenyl)propanamide Openeye Name: (3S)-N-(1-adamantylmethyl)-3-(2-chlorophenyl)-3-ureido-propanamide CAS Name: (3S)-N-(1-adamantylmethyl)-3-(carbamoylamino)-3-(2-chlorophenyl)propanamide IUPAC Name: (3S)-N-(1-adamantylmethyl)-3-(carbamoylamino)-3-(2-chlorophenyl)propanamide Traditional Name: (3S)-N-(1-adamantylmethyl)-3-(2-chlorophenyl)-3-ureido-propionamide Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CC(C4=CC=CC=C4Cl)NC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C[C@@H](C4=CC=CC=C4Cl)NC(=O)N

InChI

InChI=1S/C21H28ClN3O2/c22-17-4-2-1-3-16(17)18(25-20(23)27)8-19(26)24-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-15,18H,5-12H2,(H,24,26)(H3,23,25,27)/t13?,14?,15?,18-,21?/m0/s1