bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium

C80H104N10O21P+ — CID 137360869

About bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium

bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium (PubChem CID 137360869) has the molecular formula C80H104N10O21P+ and a molecular weight of 1572.73 g/mol. Its IUPAC name is bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium.

Molecular Properties

• Compound Name: bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium
• PubChem CID: 137360869
• Molecular Formula: C80H104N10O21P+
• Molecular Weight: 1572.73 g/mol
• Exact Mass: 1571.71
• IUPAC Name: bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium
• SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCO[P+](=O)OCNC(=O)c3ccc(-c4ccc(C(=O)NCNC(=O)[C@H](CCCCC)[C@@H](CC)N(C=O)OC(=O)c5ccc(CN6CCOCC6)cc5C)o4)cc3OCC)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(CN2CCOCC2)cc1C
• InChI: InChI=1S/C80H103N10O21P/c1-9-15-17-19-61(65(11-3)89(51-91)110-79(99)59-25-21-55(41-53(59)7)45-87-33-37-102-38-34-87)73(93)81-47-83-77(97)69-31-29-67(108-69)57-23-27-63(71(43-57)104-13-5)75(95)85-49-106-112(101)107-50-86-76(96)64-28-24-58(44-72(64)105-14-6)68-30-32-70(109-68)78(98)84-48-82-74(94)62(20-18-16-10-2)66(12-4)90(52-92)111-80(100)60-26-22-56(42-54(60)8)46-88-35-39-103-40-36-88/h21-32,41-44,51-52,61-62,65-66H,9-20,33-40,45-50H2,1-8H3,(H5-,81,82,83,84,85,86,93,94,95,96,97,98)/p+1/t61-,62-,65-,66-/m1/s1
• InChIKey: FJXWVRZKAOEROS-HGWVCSATSA-O
• XLogP: 10.07
• TPSA: 373.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.73
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium?

The IUPAC name of bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium (CID 137360869) is bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium.

What is the SMILES notation for bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium?

The canonical SMILES for bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium is CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCO[P+](=O)OCNC(=O)c3ccc(-c4ccc(C(=O)NCNC(=O)[C@H](CCCCC)[C@@H](CC)N(C=O)OC(=O)c5ccc(CN6CCOCC6)cc5C)o4)cc3OCC)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(CN2CCOCC2)cc1C.

What is the InChIKey of bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium?

The InChIKey is FJXWVRZKAOEROS-HGWVCSATSA-O. The full InChI is InChI=1S/C80H103N10O21P/c1-9-15-17-19-61(65(11-3)89(51-91)110-79(99)59-25-21-55(41-53(59)7)45-87-33-37-102-38-34-87)73(93)81-47-83-77(97)69-31-29-67(108-69)57-23-27-63(71(43-57)104-13-5)75(95)85-49-106-112(101)107-50-86-76(96)64-28-24-58(44-72(64)105-14-6)68-30-32-70(109-68)78(98)84-48-82-74(94)62(20-18-16-10-2)66(12-4)90(52-92)111-80(100)60-26-22-56(42-54(60)8)46-88-35-39-103-40-36-88/h21-32,41-44,51-52,61-62,65-66H,9-20,33-40,45-50H2,1-8H3,(H5-,81,82,83,84,85,86,93,94,95,96,97,98)/p+1/t61-,62-,65-,66-/m1/s1.

What are the key properties of bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium?

bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium has a molecular weight of 1572.73 g/mol, XLogP of 10.07, 46 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl-[2-methyl-4-(morpholin-4-ylmethyl)benzoyl]oxyamino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy]-oxophosphanium is sourced from PubChem (CID 137360869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).