Basic information
- CAS
127474-54-8- Standard SMILES
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
DGEZDWGCGXHLEW-LLVKDONJSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- (R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
- IUPAC
- (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid
- English name
- CBZ-ALPHA-ALLYL-D-GLY
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
127474-54-8(R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acidDTXSID00437256RefChem:210858DTXCID30388080MFCD020945494-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2R)-(2R)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid(2R)-2-{[(benzyloxy)carbonyl]amino}pent-4-enoic acidCbz-alpha-Allyl-D-Gly(R)-2-Cbz-AMino-4-pentenoic acidRARECHEM AL CF 0942
Show more names
Z-D-Gly(Allyl)-OHCbz-D-AllylglycineCbz-R-AllylglycineN-CBZ-D-allyl glycineCBZ-(R)-2-AMINO-4-PENTENOIC ACID(R)-2-(((benzyloxy)carbonyl)amino)pentyl-4-eneacid
Cbz-D-Alpha-Allyl-GlyCbz-D-|A-Allyl-Gly-OHSCHEMBL924112(R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoicacidWLZ4500DGEZDWGCGXHLEW-LLVKDONJSA-NAKOS016843081(R)-2-(Cbz-amino)-4-pentenoic Acid
Database identifiers
- CAS
127474-54-8- PubChem CID
- 10243780
- DTXSID
DTXSID00437256- Nikkaji
- J500.175G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 444.967 · 444.967±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.816 · 3.816±0.10(predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers38 total
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
苏州国镝医药科技有限公司0512-62956210 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南京罗迈美生物科技有限公司[email protected]
武汉研哲科技有限公司15527250409 · [email protected]
上海研纷生化科技有限公司17721070236 13611955358 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nanjing Doge Biomedical Technology Co., Ltd+86-25-58227606 +86-15305155328 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
Shanghai Joy Biotech Ltd.+86-15968534750 +86-1358845959750 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
苏州海宇生物科技有限公司512-68097639 18013585858 · [email protected]
上海恒创生物科技有限公司021-20227858 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
三本生物技术（苏州）有限公司0512-85667806 18551283436;400-965-3330 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
25 records
Compound notes
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