[[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium

C24H38N5O5V- — CID 59830036

About [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium

[[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium (PubChem CID 59830036) has the molecular formula C24H38N5O5V- and a molecular weight of 527.54 g/mol. Its IUPAC name is [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium.

Molecular Properties

• Compound Name: [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium
• PubChem CID: 59830036
• Molecular Formula: C24H38N5O5V-
• Molecular Weight: 527.54 g/mol
• Exact Mass: 527.23
• IUPAC Name: [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium
• SMILES: C[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)N[NH-])CC3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1.[V]
• InChI: InChI=1S/C24H38N5O5.V/c1-15-12-18-19(30)27-24(21(32)28-25)13-16(24)10-8-6-5-7-9-11-17(20(31)29(18)14-15)26-22(33)34-23(2,3)4;/h8,10,15-18,25H,5-7,9,11-14H2,1-4H3,(H,26,33)(H,27,30)(H,28,32);/q-1;/b10-8-;/t15-,16?,17+,18+,24-;/m1./s1
• InChIKey: DQCNMTATJGAEIG-NMKIFFJYSA-N
• XLogP: 2.59
• TPSA: 140.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.54
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium?

The IUPAC name of [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium (CID 59830036) is [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium.

What is the SMILES notation for [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium?

The canonical SMILES for [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium is C[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)N[NH-])CC3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1.[V].

What is the InChIKey of [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium?

The InChIKey is DQCNMTATJGAEIG-NMKIFFJYSA-N. The full InChI is InChI=1S/C24H38N5O5.V/c1-15-12-18-19(30)27-24(21(32)28-25)13-16(24)10-8-6-5-7-9-11-17(20(31)29(18)14-15)26-22(33)34-23(2,3)4;/h8,10,15-18,25H,5-7,9,11-14H2,1-4H3,(H,26,33)(H,27,30)(H,28,32);/q-1;/b10-8-;/t15-,16?,17+,18+,24-;/m1./s1.

What are the key properties of [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium?

[[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium has a molecular weight of 527.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [[(1S,4R,7Z,14S,18R)-18-methyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]azanide;vanadium is sourced from PubChem (CID 59830036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).