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

C26H35N5O7 — CID 22829513

About (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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 22829513) has the molecular formula C26H35N5O7 and a molecular weight of 529.59 g/mol. Its IUPAC name is (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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: 22829513
• Molecular Formula: C26H35N5O7
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.25
• IUPAC Name: (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide
• SMILES: CN(CCO)C(=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
• InChI: InChI=1S/C26H35N5O7/c1-31(6-7-32)26(38)21-11-17-9-15(3-5-23(17)35)14-2-4-22(34)16(8-14)10-19(28)24(36)29-20(25(37)30-21)12-18(33)13-27/h2-5,8-9,18-21,32-35H,6-7,10-13,27-28H2,1H3,(H,29,36)(H,30,37)/t18-,19-,20-,21-/m1/s1
• InChIKey: NQEBPZMODSMIKA-XRXFAXGQSA-N
• XLogP: -1.68
• TPSA: 211.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	-1.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide (CID 22829513) is (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide is CN(CCO)C(=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.

What is the InChIKey of (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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 NQEBPZMODSMIKA-XRXFAXGQSA-N. The full InChI is InChI=1S/C26H35N5O7/c1-31(6-7-32)26(38)21-11-17-9-15(3-5-23(17)35)14-2-4-22(34)16(8-14)10-19(28)24(36)29-20(25(37)30-21)12-18(33)13-27/h2-5,8-9,18-21,32-35H,6-7,10-13,27-28H2,1H3,(H,29,36)(H,30,37)/t18-,19-,20-,21-/m1/s1.

What are the key properties of (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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 529.59 g/mol, XLogP of -1.68, 6 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,11R,14R)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-N-(2-hydroxyethyl)-N-methyl-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 22829513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).