Chemical identity

(2S,3R)-2-(((Benzyloxy)carbonyl)amino)-3(3,4 bis(benzyloxy)phenyl)-3-hydroxypropanoic acid

CAS 55382-14-4 · C31H29NO7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00219
PubChem CID10973419
Name(2S,3R)-2-(((Benzyloxy)carbonyl)amino)-3(3,4 bis(benzyloxy)phenyl)-3-hydroxypropanoic acid
CAS RN55382-14-4
Molecular formulaC31H29NO7
Molecular weight527.56 g/mol
IUPAC name(2S,3R)-2-(((Benzyloxy)carbonyl)amino)-3(3,4 bis(benzyloxy)phenyl)-3-hydroxypropanoic acid
InChIKeyUZSWWARXWANMBV-URLMMPGGSA-N

02Structure identifiers

2D structurePubChem CID 10973419
2D structure: (2S,3R)-2-(((Benzyloxy)carbonyl)amino)-3(3,4 bis(benzyloxy)phenyl)-3-hydroxypropanoic acid, CAS 55382-14-4
Structure of (2S,3R)-2-(((Benzyloxy)carbonyl)amino)-3(3,4 bis(benzyloxy)phenyl)-3-hydroxypropanoic acid (CAS 55382-14-4). LazyChem record. Source identity: PubChem CID 10973419. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC31H29NO7
InChIKeyUZSWWARXWANMBV-URLMMPGGSA-N
Ring count4
Defined stereocentres2
Unassigned stereocentres0
SMILESC1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@H]([C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4
InChIInChI=1S/C31H29NO7/c33-29(28(30(34)35)32-31(36)39-21-24-14-8-3-9-15-24)25-16-17-26(37-19-22-10-4-1-5-11-22)27(18-25)38-20-23-12-6-2-7-13-23/h1-18,28-29,33H,19-21H2,(H,32,36)(H,34,35)/t28-,29+/m0/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 55382-14-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 55382-14-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Droxidopa

View API and impurity family

Other names

  • (betaR)-beta-Hydroxy-3-(phenylmethoxy)-N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources