N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

C37H51N7O6 — CID 70041439

About N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 70041439) has the molecular formula C37H51N7O6 and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
• PubChem CID: 70041439
• Molecular Formula: C37H51N7O6
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.39
• IUPAC Name: N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
• SMILES: O=C(N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
• InChI: InChI=1S/C37H51N7O6/c45-33(15-14-28-13-7-8-16-39-28)34(46)30(21-26-9-3-1-4-10-26)41-36(48)32(23-29-24-38-25-40-29)42-35(47)31(22-27-11-5-2-6-12-27)43-37(49)44-17-19-50-20-18-44/h2,5-8,11-13,16,24-26,30-34,45-46H,1,3-4,9-10,14-15,17-23H2,(H,38,40)(H,41,48)(H,42,47)(H,43,49)/t30-,31?,32?,33-,34+/m0/s1
• InChIKey: NDYSOUNIISWLOY-WRWXVHEZSA-N
• XLogP: 2.29
• TPSA: 181.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (CID 70041439) is N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is O=C(N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1.

What is the InChIKey of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?

The InChIKey is NDYSOUNIISWLOY-WRWXVHEZSA-N. The full InChI is InChI=1S/C37H51N7O6/c45-33(15-14-28-13-7-8-16-39-28)34(46)30(21-26-9-3-1-4-10-26)41-36(48)32(23-29-24-38-25-40-29)42-35(47)31(22-27-11-5-2-6-12-27)43-37(49)44-17-19-50-20-18-44/h2,5-8,11-13,16,24-26,30-34,45-46H,1,3-4,9-10,14-15,17-23H2,(H,38,40)(H,41,48)(H,42,47)(H,43,49)/t30-,31?,32?,33-,34+/m0/s1.

What are the key properties of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?

N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 689.86 g/mol, XLogP of 2.29, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 70041439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).