(8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide

C31H43N5O6 — CID 20704366

About (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide

(8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide (PubChem CID 20704366) has the molecular formula C31H43N5O6 and a molecular weight of 581.71 g/mol. Its IUPAC name is (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide.

Molecular Properties

• Compound Name: (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide
• PubChem CID: 20704366
• Molecular Formula: C31H43N5O6
• Molecular Weight: 581.71 g/mol
• Exact Mass: 581.32
• IUPAC Name: (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide
• SMILES: CC(NC(=O)[C@H]1Cc2cc(ccc2O)-c2ccc(O)c(c2)C[C@H](N)C(=O)N[C@H](C[C@@H](O)CN)C(=O)N1)C1CCCCC1
• InChI: InChI=1S/C31H43N5O6/c1-17(18-5-3-2-4-6-18)34-30(41)25-14-22-12-20(8-10-28(22)39)19-7-9-27(38)21(11-19)13-24(33)29(40)35-26(31(42)36-25)15-23(37)16-32/h7-12,17-18,23-26,37-39H,2-6,13-16,32-33H2,1H3,(H,34,41)(H,35,40)(H,36,42)/t17?,23-,24+,25-,26-/m1/s1
• InChIKey: LWAWOIDKCGBAGC-FEQRYRNHSA-N
• XLogP: 0.95
• TPSA: 200.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.71
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide?

The IUPAC name of (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide (CID 20704366) is (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide.

What is the SMILES notation for (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide?

The canonical SMILES for (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide is CC(NC(=O)[C@H]1Cc2cc(ccc2O)-c2ccc(O)c(c2)C[C@H](N)C(=O)N[C@H](C[C@@H](O)CN)C(=O)N1)C1CCCCC1.

What is the InChIKey of (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide?

The InChIKey is LWAWOIDKCGBAGC-FEQRYRNHSA-N. The full InChI is InChI=1S/C31H43N5O6/c1-17(18-5-3-2-4-6-18)34-30(41)25-14-22-12-20(8-10-28(22)39)19-7-9-27(38)21(11-19)13-24(33)29(40)35-26(31(42)36-25)15-23(37)16-32/h7-12,17-18,23-26,37-39H,2-6,13-16,32-33H2,1H3,(H,34,41)(H,35,40)(H,36,42)/t17?,23-,24+,25-,26-/m1/s1.

What are the key properties of (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide?

(8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide has a molecular weight of 581.71 g/mol, XLogP of 0.95, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,11R,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-N-(1-cyclohexylethyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide is sourced from PubChem (CID 20704366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).