Stk367969

HCID 333429CAS 112525-72-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
NFVNYBJCJGKVQK-UHFFFAOYSA-N
Molecular formula
C16H20N2O4
Average molar mass
304.34 g/mol
Monoisotopic mass
304.14230712

Names & identifiers

Preferred name
Stk367969
IUPAC
3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name
N-tert-Butoxycarbonyl-DL-tryptophan
Molecular formula
C16H20N2O4
Molecular weight
304.34

Names & synonyms

112525-72-1STK367969DTXSID70318720RefChem:382211DTXCID10269843Boc-DL-Trp-OH2-((tert-Butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoic acidBoc-DL-tryptophanN-TERT-BUTOXYCARBONYL-DL-TRYPTOPHAN(tert-Butoxycarbonyl)tryptophanMFCD00190836N-(tert-butoxycarbonyl)tryptophan
Show more names
N-α-Boc-DL-TryptophanN-(tert-Butoxycarbonyl)-DL-tryptophan >(tert-Butoxycarbonyl)tryptophan - [B92214]N-TERT-BUTOXYCARBONYL-DL-TRYPTOPHAN USP/EP/BP3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoicaci
3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidn-(tert-butoxycarbonyl)-dl-tryptophan2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acidNa-Boc-D-tryptophanNa-Boc-L-tryptophanNalpha-Boc-D-tryptophantert-ButoxycarbonyltryptophanN-tert-Butoxycarbonyltryptophan

Database identifiers

CAS
112525-72-1、13139-14-5
PubChem CID
333429
DTXSID
DTXSID70318720
Nikkaji
J2.090.780K

Properties

Computed structural properties

XLogP
2
Topological polar surface area
91.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22

Physicochemical properties

Melting point
131 °C · 131 °C(dec.)
Boiling point
535.7 · 535.7±45.0 °C(Predicted)
Density
1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
powder to crystal
pka
4 · 4.00±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2933.99.8290
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

17 records
New reaction record

Linked notes

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Stk367969 (HCID 333429)｜Huagongshe