2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine

C37H63N11O7 — CID 172937462

About 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine

2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine (PubChem CID 172937462) has the molecular formula C37H63N11O7 and a molecular weight of 773.98 g/mol. Its IUPAC name is 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine.

Molecular Properties

• Compound Name: 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine
• PubChem CID: 172937462
• Molecular Formula: C37H63N11O7
• Molecular Weight: 773.98 g/mol
• Exact Mass: 773.49
• IUPAC Name: 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine
• SMILES: CC(C)(C)OC(=O)NC(CCCCN/C(N)=N/[N+](=O)[O-])C(=O)O.C[C@@H](N)Cc1ccccc1.C[C@H](Cc1ccccc1)NC(=O)C(N)CCCCN=C(N)N
• InChI: InChI=1S/C16H27N5O.C12H23N5O6.C9H13N/c1-12(11-13-7-3-2-4-8-13)21-15(22)14(17)9-5-6-10-20-16(18)19;1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22;1-8(10)7-9-5-3-2-4-6-9/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3,(H,21,22)(H4,18,19,20);8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16);2-6,8H,7,10H2,1H3/t12-,14?;;8-/m1.1/s1
• InChIKey: LVGSAVCJKDXNCZ-OVKYAKDCSA-N
• XLogP: 2.31
• TPSA: 314.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.98
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine?

The IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine (CID 172937462) is 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine.

What is the SMILES notation for 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine?

The canonical SMILES for 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine is CC(C)(C)OC(=O)NC(CCCCN/C(N)=N/[N+](=O)[O-])C(=O)O.C[C@@H](N)Cc1ccccc1.C[C@H](Cc1ccccc1)NC(=O)C(N)CCCCN=C(N)N.

What is the InChIKey of 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine?

The InChIKey is LVGSAVCJKDXNCZ-OVKYAKDCSA-N. The full InChI is InChI=1S/C16H27N5O.C12H23N5O6.C9H13N/c1-12(11-13-7-3-2-4-8-13)21-15(22)14(17)9-5-6-10-20-16(18)19;1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22;1-8(10)7-9-5-3-2-4-6-9/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3,(H,21,22)(H4,18,19,20);8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16);2-6,8H,7,10H2,1H3/t12-,14?;;8-/m1.1/s1.

What are the key properties of 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine?

2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine has a molecular weight of 773.98 g/mol, XLogP of 2.31, 19 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(diaminomethylideneamino)-N-[(2R)-1-phenylpropan-2-yl]hexanamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(E)-N'-nitrocarbamimidoyl]amino]hexanoic acid;(2R)-1-phenylpropan-2-amine is sourced from PubChem (CID 172937462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).