benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate

C26H39N7O5 — CID 20791262

IUPACbenzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate
SMILESCC(C)C[C@@H](C(N)=O)N(C(=O)OCc1ccccc1)[C@@H](CC(C)C)C(=O)Cn1nnc(N2CCOCC2)n1
InChIInChI=1S/C26H39N7O5/c1-18(2)14-21(23(34)16-32-29-25(28-30-32)31-10-12-37-13-11-31)33(22(24(27)35)15-19(3)4)26(36)38-17-20-8-6-5-7-9-20/h5-9,18-19,21-22H,10-17H2,1-4H3,(H2,27,35)/t21-,22-/m0/s1
InChIKeySKGZNKWTWKMZKN-VXKWHMMOSA-N
MW529.64 g/mol
LogP2.03
Rot. Bonds13

About benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate

benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate (PubChem CID 20791262) has the molecular formula C26H39N7O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate
PubChem CID20791262
Molecular FormulaC26H39N7O5
Molecular Weight529.64 g/mol
Exact Mass529.30
IUPAC Namebenzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate
SMILESCC(C)C[C@@H](C(N)=O)N(C(=O)OCc1ccccc1)[C@@H](CC(C)C)C(=O)Cn1nnc(N2CCOCC2)n1
InChIInChI=1S/C26H39N7O5/c1-18(2)14-21(23(34)16-32-29-25(28-30-32)31-10-12-37-13-11-31)33(22(24(27)35)15-19(3)4)26(36)38-17-20-8-6-5-7-9-20/h5-9,18-19,21-22H,10-17H2,1-4H3,(H2,27,35)/t21-,22-/m0/s1
InChIKeySKGZNKWTWKMZKN-VXKWHMMOSA-N
XLogP2.03
TPSA145.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate (CID 20791262) is benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate is CC(C)C[C@@H](C(N)=O)N(C(=O)OCc1ccccc1)[C@@H](CC(C)C)C(=O)Cn1nnc(N2CCOCC2)n1.
What is the InChIKey of benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate?
The InChIKey is SKGZNKWTWKMZKN-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H39N7O5/c1-18(2)14-21(23(34)16-32-29-25(28-30-32)31-10-12-37-13-11-31)33(22(24(27)35)15-19(3)4)26(36)38-17-20-8-6-5-7-9-20/h5-9,18-19,21-22H,10-17H2,1-4H3,(H2,27,35)/t21-,22-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate?
benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate has a molecular weight of 529.64 g/mol, XLogP of 2.03, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate is sourced from PubChem (CID 20791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).