(2S)-3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylamino]-2-(propan-2-yloxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylamino]-2-(propan-2-yloxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-pyridyl]piperazine-1-carbonyl]amino]-2-(isopropoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-pyridinyl]-1-piperazinyl]-oxomethyl]amino]-2-[[oxo(propan-2-yloxy)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]amino]-2-(propan-2-yloxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[[4-[4-(2-imidazolin-2-ylamino)-2-pyridyl]piperazine-1-carbonyl]amino]-2-(isopropoxycarbonylamino)propionic acid Formula: C20H30N8O5 MolecularWeight: 462.5028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC(CNC(=O)N1CCN(CC1)C2=NC=CC(=C2)NC3=NCCN3)C(=O)O

Isomeric SMILES

CC(C)OC(=O)N[C@@H](CNC(=O)N1CCN(CC1)C2=NC=CC(=C2)NC3=NCCN3)C(=O)O

InChI

InChI=1S/C20H30N8O5/c1-13(2)33-20(32)26-15(17(29)30)12-24-19(31)28-9-7-27(8-10-28)16-11-14(3-4-21-16)25-18-22-5-6-23-18/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,24,31)(H,26,32)(H,29,30)(H2,21,22,23,25)/t15-/m0/s1