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(2R)-2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-3-(1H-indol-3-YL)propanoic acid

HCID 6992408
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Basic information

CAS
202595-75-3
Standard SMILES
O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
VFJWAPSFRKFYME-GOSISDBHSA-N
Molecular formula
C21H21N3O5
Average molar mass
395.4 g/mol
Monoisotopic mass
395.14812078

Names & identifiers

Preferred name
(2R)-2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-3-(1H-indol-3-YL)propanoic acid
IUPAC
(2R)-3-(1H-indol-3-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
English name
Z-Gly-D-Trp-OH
Molecular formula
C21H21N3O5
Molecular weight
395.41

Names & synonyms

202595-75-3(2R)-2-(2-{[(BENZYLOXY)CARBONYL]AMINO}ACETAMIDO)-3-(1H-INDOL-3-YL)PROPANOIC ACIDCbz-Gly-D-TrpBDBM36229DTXSID601238729N-[(Benzyloxy)carbonyl]glycyl-D-tryptophanD-Tryptophan, N-[(phenylmethoxy)carbonyl]glycyl-EN300-18545501Z-Gly-D-Trp-OHCARBOBENZYLOXYGLYCYL-D-TRYPTOPHAND-Tryptophan, N-[(phenylmethoxy)carbonyl]glycyl- (9CI)

Database identifiers

CAS
202595-75-3
PubChem CID
6992408
DTXSID
DTXSID601238729

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
121 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Formal charge
0
Complexity
579

Physicochemical properties

Boiling point
748.3 · 748.3±60.0 °C(Predicted)
Density
1.358 · 1.358±0.06 g/cm3(Predicted)
storage temp.
-15 °C · -15°C
pka
3.46 · 3.46±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Benzyloxycarbonylaminoacetyl chlorideN-Cbz-D-TryptophanD-Tryptophan

Suppliers7 total

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

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Compound notes

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