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4-(Benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

HCID 288692
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
4515-20-2
Standard SMILES
O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
UYOZWZKJQRBZRH-UHFFFAOYSA-N
Molecular formula
C19H19NO6
Average molar mass
357.4 g/mol
Monoisotopic mass
357.12123733

Names & identifiers

Preferred name
4-(Benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid
IUPAC
4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid

Names & synonyms

4515-20-24-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid(3R)-4-(Benzyloxy)-3-{[(benzyloxy)carbonyl]-amino}-4-oxobutanoic acidN-Cbz-L-aspartic acid 1-benzyl esterNSC1737274-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acidSCHEMBL4280674(3R)-4-(BENZYLOXY)-3-([(BENZYLOXY)CARBONYL]-AMINO)-4-OXOBUTANOIC ACIDZ-L-aspartic acid a-benzyl esterNSC150012AKOS025312338NSC-150012
Show more names
NSC-173727LS-14711PD196610DB-051479EN300-6745373N-alpha-CBZ-ASPARTIC ACID alpha-BENZYL ESTER4-benzyloxy-3-(benzyloxycarbonylamino)-4-oxo-butanoic acid

Database identifiers

CAS
4515-20-2、4779-31-1
PubChem CID
288692

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
469

Related reactions

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Compound notes

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