methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate

C33H51N5O14 — CID 134834898

About methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate

methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate (PubChem CID 134834898) has the molecular formula C33H51N5O14 and a molecular weight of 741.79 g/mol. Its IUPAC name is methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate
• PubChem CID: 134834898
• Molecular Formula: C33H51N5O14
• Molecular Weight: 741.79 g/mol
• Exact Mass: 741.34
• IUPAC Name: methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate
• SMILES: COC(=O)CNC(=O)c1cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](O)CNC(=O)c2cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](O)CN)oc2C)oc1C
• InChI: InChI=1S/C33H51N5O14/c1-15-17(10-21(49-15)24(26(42)19(39)12-34)37-30(46)51-32(3,4)5)28(44)35-13-20(40)27(43)25(38-31(47)52-33(6,7)8)22-11-18(16(2)50-22)29(45)36-14-23(41)48-9/h10-11,19-20,24-27,39-40,42-43H,12-14,34H2,1-9H3,(H,35,44)(H,36,45)(H,37,46)(H,38,47)/t19-,20-,24+,25+,26-,27-/m1/s1
• InChIKey: QLGDHEGSICZJCH-FAIIWMRCSA-N
• XLogP: 0.36
• TPSA: 294.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	741.79
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate?

The IUPAC name of methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate (CID 134834898) is methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate.

What is the SMILES notation for methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate?

The canonical SMILES for methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](O)CNC(=O)c2cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](O)CN)oc2C)oc1C.

What is the InChIKey of methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate?

The InChIKey is QLGDHEGSICZJCH-FAIIWMRCSA-N. The full InChI is InChI=1S/C33H51N5O14/c1-15-17(10-21(49-15)24(26(42)19(39)12-34)37-30(46)51-32(3,4)5)28(44)35-13-20(40)27(43)25(38-31(47)52-33(6,7)8)22-11-18(16(2)50-22)29(45)36-14-23(41)48-9/h10-11,19-20,24-27,39-40,42-43H,12-14,34H2,1-9H3,(H,35,44)(H,36,45)(H,37,46)(H,38,47)/t19-,20-,24+,25+,26-,27-/m1/s1.

What are the key properties of methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate?

methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate has a molecular weight of 741.79 g/mol, XLogP of 0.36, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate is sourced from PubChem (CID 134834898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).