Chemical identity

((2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanoyl)-L-leucine

CAS 87304-15-2 · C21H32N2O6

01Identity

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

Lazychem IDLC-00018
PubChem CID11200656
Name((2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanoyl)-L-leucine
CAS RN87304-15-2
Molecular formulaC21H32N2O6
Molecular weight408.5 g/mol
IUPAC name((2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanoyl)-L-leucine
InChIKeyDLADKYKXROHIAB-IKGGRYGDSA-N

02Structure identifiers

2D structurePubChem CID 11200656
2D structure: ((2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanoyl)-L-leucine, CAS 87304-15-2
Structure of ((2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanoyl)-L-leucine (CAS 87304-15-2). LazyChem record. Source identity: PubChem CID 11200656. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H32N2O6
InChIKeyDLADKYKXROHIAB-IKGGRYGDSA-N
Ring count1
Defined stereocentres3
Unassigned stereocentres0
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
InChIInChI=1S/C21H32N2O6/c1-13(2)11-16(19(26)27)22-18(25)17(24)15(12-14-9-7-6-8-10-14)23-20(28)29-21(3,4)5/h6-10,13,15-17,24H,11-12H2,1-5H3,(H,22,25)(H,23,28)(H,26,27)/t15-,16+,17+/m1/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 87304-15-2 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 87304-15-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ubenimex

View API and impurity family

Other names

  • (S)-2-((2S, 3R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid

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