Methyl 2-amino-3-(3-[(tert-butoxycarbonyl)amino]methyl-4-methoxyphenyl)propanoate

HCID 22494331
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Basic information

Standard SMILES
COC(=O)C(N)Cc1ccc(OC)c(CNC(=O)OC(C)(C)C)c1
InChIKey
BSLICNBSMSSCGO-UHFFFAOYSA-N
Molecular formula
C17H26N2O5
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
Methyl 2-amino-3-(3-[(tert-butoxycarbonyl)amino]methyl-4-methoxyphenyl)propanoate
IUPAC
methyl 2-amino-3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate

Names & synonyms

SCHEMBL5554936BSLICNBSMSSCGO-UHFFFAOYSA-Nmethyl 2-amino-3-(3-[(tert-butoxycarbonyl)amino]methyl-4-methoxyphenyl)propanoate(2-amino)-3-(3-{[(t-butoxycarbonyl)amino]methyl}-4-methoxyphenyl)propionic acid methyl ester

Database identifiers

PubChem CID
22494331

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
99.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
24

Related reactions

2 records
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Compound notes

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