(2R)-2-(1-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide

Systemtic Name: (2R)-2-(1-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide Openeye Name: (2R)-2-(1-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide CAS Name: (2R)-2-[[(1-adamantylamino)-oxomethyl]amino]-3-(3-carbamimidoylphenyl)-N-phenethylpropanamide IUPAC Name: (2R)-2-(1-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethylpropanamide Traditional Name: (2R)-2-(1-adamantylcarbamoylamino)-3-(3-amidinophenyl)-N-phenethyl-propionamide Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)N[C@H](CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2/c30-26(31)24-8-4-7-20(14-24)15-25(27(35)32-10-9-19-5-2-1-3-6-19)33-28(36)34-29-16-21-11-22(17-29)13-23(12-21)18-29/h1-8,14,21-23,25H,9-13,15-18H2,(H3,30,31)(H,32,35)(H2,33,34,36)/t21?,22?,23?,25-,29?/m1/s1