1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamate

Systemtic Name: 1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamate Openeye Name: 1-adamantyl N-[(1S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-(propylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-1-(propylamino)propan-2-yl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-1-(propylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-amidinobenzyl)-2-keto-2-(propylamino)ethyl]carbamic acid 1-adamantyl ester Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC1=CC=CC(=C1)C(=N)N)NC(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCNC(=O)[C@H](CC1=CC=CC(=C1)C(=N)N)NC(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N4O3/c1-2-6-27-22(29)20(11-15-4-3-5-19(10-15)21(25)26)28-23(30)31-24-12-16-7-17(13-24)9-18(8-16)14-24/h3-5,10,16-18,20H,2,6-9,11-14H2,1H3,(H3,25,26)(H,27,29)(H,28,30)/t16?,17?,18?,20-,24?/m0/s1