N-[N-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-N'-(phenylmethyl)carbamimidoyl]cyclopropanecarboxamide

Systemtic Name: N-[N-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-N'-(phenylmethyl)carbamimidoyl]cyclopropanecarboxamide Openeye Name: N-[N-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-N'-benzyl-carbamimidoyl]cyclopropanecarboxamide CAS Name: N-[[[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]-(phenylmethyl)iminomethyl]cyclopropanecarboxamide IUPAC Name: N-[N-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-N'-benzylcarbamimidoyl]cyclopropanecarboxamide Traditional Name: N-[N-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-N'-benzyl-amidino]cyclopropanecarboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=NCC2=CC=CC=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC1C(=O)NC(=NCC2=CC=CC=C2)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H25N5O3/c23-19(28)18(13-15-7-3-1-4-8-15)25-22(30)27-21(26-20(29)17-11-12-17)24-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,23,28)(H3,24,25,26,27,29,30)/t18-/m0/s1