(2R)-2-azanyl-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-cyclohexyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-cyclohexyl-propanamide Openeye Name: (2R)-2-amino-N-[(1S)-1-benzyl-2-[(1-carbamimidoyl-4-piperidyl)amino]-2-oxo-ethyl]-3-cyclohexyl-propanamide CAS Name: (2R)-2-amino-N-[(2S)-1-[(1-carbamimidoyl-4-piperidinyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-cyclohexylpropanamide IUPAC Name: (2R)-2-amino-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-cyclohexylpropanamide Traditional Name: (2R)-N-[(1S)-2-[(1-amidino-4-piperidyl)amino]-1-benzyl-2-keto-ethyl]-2-amino-3-cyclohexyl-propionamide Formula: C24H38N6O2 MolecularWeight: 442.59752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=N)N)N

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=N)N)N

InChI

InChI=1S/C24H38N6O2/c25-20(15-17-7-3-1-4-8-17)22(31)29-21(16-18-9-5-2-6-10-18)23(32)28-19-11-13-30(14-12-19)24(26)27/h2,5-6,9-10,17,19-21H,1,3-4,7-8,11-16,25H2,(H3,26,27)(H,28,32)(H,29,31)/t20-,21+/m1/s1