(2R)-2-(2-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide

Systemtic Name: (2R)-2-(2-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide Openeye Name: (2R)-2-(2-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide CAS Name: (2R)-2-[[(2-adamantylamino)-oxomethyl]amino]-3-(3-carbamimidoylphenyl)-N-phenethylpropanamide IUPAC Name: (2R)-2-(2-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethylpropanamide Traditional Name: (2R)-2-(2-adamantylcarbamoylamino)-3-(3-amidinophenyl)-N-phenethyl-propionamide Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)NC(CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)N[C@H](CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2/c30-27(31)22-8-4-7-19(12-22)17-25(28(35)32-10-9-18-5-2-1-3-6-18)33-29(36)34-26-23-13-20-11-21(15-23)16-24(26)14-20/h1-8,12,20-21,23-26H,9-11,13-17H2,(H3,30,31)(H,32,35)(H2,33,34,36)/t20?,21?,23?,24?,25-,26?/m1/s1