N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide

C34H55N5O6S — CID 58737864

About N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide

N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide (PubChem CID 58737864) has the molecular formula C34H55N5O6S and a molecular weight of 661.91 g/mol. Its IUPAC name is N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide
• PubChem CID: 58737864
• Molecular Formula: C34H55N5O6S
• Molecular Weight: 661.91 g/mol
• Exact Mass: 661.39
• IUPAC Name: N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide
• SMILES: CCCN(CCC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)c(C)o1
• InChI: InChI=1S/C34H55N5O6S/c1-9-16-39(17-10-2)46(43,44)30-20-27(25(8)45-30)33(41)37-29(18-22(3)4)28(35)19-24(7)32(40)38-31(23(5)6)34(42)36-21-26-14-12-11-13-15-26/h11-15,20,22-24,28-29,31H,9-10,16-19,21,35H2,1-8H3,(H,36,42)(H,37,41)(H,38,40)/t24-,28+,29+,31+/m1/s1
• InChIKey: PQCAFABZFPPHMX-IAYSKZJSSA-N
• XLogP: 4.35
• TPSA: 163.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.91
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide?

The IUPAC name of N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide (CID 58737864) is N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide is CCCN(CCC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)c(C)o1.

What is the InChIKey of N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide?

The InChIKey is PQCAFABZFPPHMX-IAYSKZJSSA-N. The full InChI is InChI=1S/C34H55N5O6S/c1-9-16-39(17-10-2)46(43,44)30-20-27(25(8)45-30)33(41)37-29(18-22(3)4)28(35)19-24(7)32(40)38-31(23(5)6)34(42)36-21-26-14-12-11-13-15-26/h11-15,20,22-24,28-29,31H,9-10,16-19,21,35H2,1-8H3,(H,36,42)(H,37,41)(H,38,40)/t24-,28+,29+,31+/m1/s1.

What are the key properties of N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide?

N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide has a molecular weight of 661.91 g/mol, XLogP of 4.35, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S,5S,7R)-5-amino-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]-5-(dipropylsulfamoyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 58737864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).