CAS 39608-30-5 Z-Nle-OH (HCID 6993403)

Substructure search Find similar structures

Basic information

CAS: 39608-30-5
Standard SMILES: CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: NMYWMOZOCYAHNC-LBPRGKRZSA-N
Molecular formula: C14H19NO4
Average molar mass: 265.3 g/mol
Monoisotopic mass: 265.13140809

Names & identifiers

Preferred name: Z-Nle-OH
IUPAC: (2S)-2-(phenylmethoxycarbonylamino)hexanoic acid
English name: Z-Nle-OH
Molecular formula: C14H19NO4
Molecular weight: 265.3

Names & synonyms

Z-Nle-OH39608-30-5DTXSID70426354RefChem:388528DTXCID00377188Cbz-L-norleucineZ-L-NorleucineMFCD00063170(2S)-2-(phenylmethoxycarbonylamino)hexanoic acid(S)-2-(((Benzyloxy)carbonyl)amino)hexanoic acid(2s)-2-{[(benzyloxy)carbonyl]amino}hexanoic acidZ-L-2-aminohexanoic acid

Show more names

Cbz-Nle-OHZ-L-Nle-OHZ-AHX(2)-OHZ-NORLEUCINEZ-ACPO(2)-OHZ-Nle-OH (oil)

(2S)-2-[[(Benzyloxy)carbonyl]amino]hexanoic acidZ-L-Nle-OH (oil)Benzyloxycarbonyl-L-norleucineZ-norLeu-OHN-Cbz-L-norleucineZ-L-NleZ-Nle-OH ,98%SCHEMBL4126228

Database identifiers

CAS: 39608-30-5
PubChem CID: 6993403
DTXSID: DTXSID70426354
ChEMBL: CHEMBL4990381
Nikkaji: J58.655B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 287

Physicochemical properties

Melting point: 56 · 56-58°C
storage temp.: 2 · Sealed in dry,2-8°C
form: powder
color: white
BRN: 3210973 · 3210973
Major Application: peptide synthesis
InChI: 1S/C14H19NO4/c1-2-3-9-12(13(16)17)15-14(18)19-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey: NMYWMOZOCYAHNC-LBPRGKRZSA-N
SMILES: CCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
PPE: 95 · Eyeshields, Gloves, type N95 (US)

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362