2-(hexylcarbamoylamino)-3-[[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(hexylcarbamoylamino)-3-[[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-(hexylcarbamoylamino)-3-[[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[(hexylamino)-oxomethyl]amino]-3-[[oxo-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]-4-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(hexylcarbamoylamino)-3-[[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-(hexylcarbamoylamino)-3-[[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]isonipecotoyl]amino]propionic acid Formula: C26H41N7O4 MolecularWeight: 515.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)NC3=NCCCN3)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)NC3=NCCCN3)C(=O)O

InChI

InChI=1S/C26H41N7O4/c1-2-3-4-5-12-29-26(37)32-22(24(35)36)18-30-23(34)19-10-15-33(16-11-19)21-9-6-8-20(17-21)31-25-27-13-7-14-28-25/h6,8-9,17,19,22H,2-5,7,10-16,18H2,1H3,(H,30,34)(H,35,36)(H2,27,28,31)(H2,29,32,37)