Basic information
- CAS
127819-96-9- Standard SMILES
C=C[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N1CCCC[C@]1(C=O)C(=O)N1CCCCC1- InChIKey
QHUGACUEEILSLD-NNWJBWDNSA-N- Molecular formula
- C40H53N9O6
- Average molar mass
- 755.9 g/mol
- Monoisotopic mass
- 755.41188044
Overview
oxytocin antagonist; structure given in first source
Names & identifiers
- Preferred name
- L 366682
- IUPAC
- (2S)-1-[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[(2R)-1-[[(2S,3S)-1-[(2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
- English name
- L 366682
- Molecular formula
- C40H53N9O6
- Molecular weight
- 755.916
Names & synonyms
Cyclo(pro-trp-ile-pip-pip-his)L-366,682(2S)-1-((2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl)-N-((2R)-1-(((2S,3S)-1-((2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl)-3-methyl-1-oxopent-4-en-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide(2S)-1-[(2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl]-N-[(2R)-1-[[(2S,3S)-1-[(2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamideRefChem:924314127819-96-9Cyclo(D-histidyl-L-prolyl-D-tryptophyl-L-isoleucyl-D-2-piperidinecarbonyl-L-2-piperidinecarbonyl)L 366,682L 366682L-366682GTPL2243DTXSID50925991
Show more names
682L-66L-66,682Cyclo[D-His-L-Pro-D-Trp-L-Ile-D-Pip-L-Pip-]Cyclo(L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-D-His-)Cyclo(D-His-L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-)
(2S)-N-[(2R)-1-({(2S,3S)-1-[(2S)-2-Formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl}imino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-D-histidylpyrrolidine-2-carboximidic acidN-[1-({1-[2-Formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl}imino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-histidylpyrrolidine-2-carboximidic acid
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,420
Physicochemical properties
- Sequence
- Cyclo({d-His}-Pro-{d-Trp}-Ile-{d-Pip}-{Pip})
Chemistry & industry
Applications
DescriptionL 366682 is an oxytocin antagonist.
UsesL-366682, a cyclic hexapeptide, possesses antagonism of oxytocin[1].
Suppliers7 total
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…