2-[(6-carbamimidoylpyridin-3-yl)methyl-[(2S)-1-cyclohexylpyrrolidin-2-yl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(6-carbamimidoylpyridin-3-yl)methyl-[(2S)-1-cyclohexylpyrrolidin-2-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-[(6-carbamimidoyl-3-pyridyl)methyl-[(2S)-1-cyclohexylpyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[(6-carbamimidoyl-3-pyridinyl)methyl-[[(2S)-1-cyclohexyl-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-carbamimidoylpyridin-3-yl)methyl-[(2S)-1-cyclohexylpyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[(6-amidino-3-pyridyl)methyl-[(2S)-1-cyclohexylprolyl]amino]acetic acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC2C(=O)N(CC3=CN=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCC[C@H]2C(=O)N(CC3=CN=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H29N5O3/c21-19(22)16-9-8-14(11-23-16)12-24(13-18(26)27)20(28)17-7-4-10-25(17)15-5-2-1-3-6-15/h8-9,11,15,17H,1-7,10,12-13H2,(H3,21,22)(H,26,27)/t17-/m0/s1