[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid

C26H48N6O9 — CID 143730818

IUPAC[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid
SMILESCCC(C)(C)OCCC(C)(C)OC(=O)NCCC(=O)N(CCC(N)=O)CCN(CCC(N)=O)C(=O)CCNC(=O)O
InChIInChI=1S/C26H48N6O9/c1-6-25(2,3)40-18-11-26(4,5)41-24(39)30-13-8-22(36)32(15-10-20(28)34)17-16-31(14-9-19(27)33)21(35)7-12-29-23(37)38/h29H,6-18H2,1-5H3,(H2,27,33)(H2,28,34)(H,30,39)(H,37,38)
InChIKeyRUYWGQZXBVMVOR-UHFFFAOYSA-N
MW588.70 g/mol
LogP0.54
Rot. Bonds21

About [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid

[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid (PubChem CID 143730818) has the molecular formula C26H48N6O9 and a molecular weight of 588.70 g/mol. Its IUPAC name is [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid
PubChem CID143730818
Molecular FormulaC26H48N6O9
Molecular Weight588.70 g/mol
Exact Mass588.35
IUPAC Name[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid
SMILESCCC(C)(C)OCCC(C)(C)OC(=O)NCCC(=O)N(CCC(N)=O)CCN(CCC(N)=O)C(=O)CCNC(=O)O
InChIInChI=1S/C26H48N6O9/c1-6-25(2,3)40-18-11-26(4,5)41-24(39)30-13-8-22(36)32(15-10-20(28)34)17-16-31(14-9-19(27)33)21(35)7-12-29-23(37)38/h29H,6-18H2,1-5H3,(H2,27,33)(H2,28,34)(H,30,39)(H,37,38)
InChIKeyRUYWGQZXBVMVOR-UHFFFAOYSA-N
XLogP0.54
TPSA223.69 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.70
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid (CID 143730818) is [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid is CCC(C)(C)OCCC(C)(C)OC(=O)NCCC(=O)N(CCC(N)=O)CCN(CCC(N)=O)C(=O)CCNC(=O)O.
What is the InChIKey of [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid?
The InChIKey is RUYWGQZXBVMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N6O9/c1-6-25(2,3)40-18-11-26(4,5)41-24(39)30-13-8-22(36)32(15-10-20(28)34)17-16-31(14-9-19(27)33)21(35)7-12-29-23(37)38/h29H,6-18H2,1-5H3,(H2,27,33)(H2,28,34)(H,30,39)(H,37,38).
What are the key properties of [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid?
[3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid has a molecular weight of 588.70 g/mol, XLogP of 0.54, 21 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-[3-[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxycarbonylamino]propanoyl]amino]ethyl]amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 143730818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).