(8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride

C30H49Cl5N8O6 — CID 50938695

About (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride

(8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride (PubChem CID 50938695) has the molecular formula C30H49Cl5N8O6 and a molecular weight of 795.04 g/mol. Its IUPAC name is (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride.

Molecular Properties

• Compound Name: (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride
• PubChem CID: 50938695
• Molecular Formula: C30H49Cl5N8O6
• Molecular Weight: 795.04 g/mol
• Exact Mass: 792.22
• IUPAC Name: (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride
• SMILES: Cl.Cl.Cl.Cl.Cl.NCCC[C@@H]1NC(=O)[C@@H](N)Cc2cc(ccc2O)-c2ccc(O)c(c2)C[C@@H](C(=O)NC(CCN)CC(=O)NCCN)NC1=O
• InChI: InChI=1S/C30H44N8O6.5ClH/c31-8-1-2-23-29(43)38-24(30(44)36-21(7-9-32)16-27(41)35-11-10-33)15-20-13-18(4-6-26(20)40)17-3-5-25(39)19(12-17)14-22(34)28(42)37-23;;;;;/h3-6,12-13,21-24,39-40H,1-2,7-11,14-16,31-34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43);5*1H/t21?,22-,23-,24-;;;;;/m0...../s1
• InChIKey: NCJBZIKOAQMHOQ-ZODIKIRISA-N
• XLogP: 0.31
• TPSA: 260.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride?

The IUPAC name of (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride (CID 50938695) is (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride.

What is the SMILES notation for (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride?

The canonical SMILES for (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride is Cl.Cl.Cl.Cl.Cl.NCCC[C@@H]1NC(=O)[C@@H](N)Cc2cc(ccc2O)-c2ccc(O)c(c2)C[C@@H](C(=O)NC(CCN)CC(=O)NCCN)NC1=O.

What is the InChIKey of (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride?

The InChIKey is NCJBZIKOAQMHOQ-ZODIKIRISA-N. The full InChI is InChI=1S/C30H44N8O6.5ClH/c31-8-1-2-23-29(43)38-24(30(44)36-21(7-9-32)16-27(41)35-11-10-33)15-20-13-18(4-6-26(20)40)17-3-5-25(39)19(12-17)14-22(34)28(42)37-23;;;;;/h3-6,12-13,21-24,39-40H,1-2,7-11,14-16,31-34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43);5*1H/t21?,22-,23-,24-;;;;;/m0...../s1.

What are the key properties of (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride?

(8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride has a molecular weight of 795.04 g/mol, XLogP of 0.31, 11 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,11S,14S)-14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-3-yl]-11-(3-aminopropyl)-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;pentahydrochloride is sourced from PubChem (CID 50938695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).