(8S,11S,14S)-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;hydrochloride

C26H36ClN5O7 — CID 10483041

About (8S,11S,14S)-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;hydrochloride

(8S,11S,14S)-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;hydrochloride (PubChem CID 10483041) has the molecular formula C26H36ClN5O7 and a molecular weight of 566.06 g/mol. Its IUPAC name is (8S,11S,14S)-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;hydrochloride.

Molecular Properties

• Compound Name: (8S,11S,14S)-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;hydrochloride
• PubChem CID: 10483041
• Molecular Formula: C26H36ClN5O7
• Molecular Weight: 566.06 g/mol
• Exact Mass: 565.23
• IUPAC Name: (8S,11S,14S)-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;hydrochloride
• 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.Cl
• InChI: InChI=1S/C26H35N5O7.ClH/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);1H/t18-,19+,20+,21+;/m1./s1
• InChIKey: BFDTYQOFOFAEIP-DMTXAUIDSA-N
• XLogP: -1.26
• TPSA: 211.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.06
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (8S,11S,14S)-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;hydrochloride?

The IUPAC name of (8S,11S,14S)-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;hydrochloride (CID 10483041) is (8S,11S,14S)-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;hydrochloride.

What is the SMILES notation for (8S,11S,14S)-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;hydrochloride?

The canonical SMILES for (8S,11S,14S)-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;hydrochloride 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.Cl.

What is the InChIKey of (8S,11S,14S)-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;hydrochloride?

The InChIKey is BFDTYQOFOFAEIP-DMTXAUIDSA-N. The full InChI is InChI=1S/C26H35N5O7.ClH/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);1H/t18-,19+,20+,21+;/m1./s1.

What are the key properties of (8S,11S,14S)-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;hydrochloride?

(8S,11S,14S)-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;hydrochloride has a molecular weight of 566.06 g/mol, XLogP of -1.26, 6 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,11S,14S)-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;hydrochloride is sourced from PubChem (CID 10483041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).