Basic information
- CAS
127819-97-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)[C@@]1(C=O)CCCN1C(=O)[C@H](N)CC1=NC(C(=O)N2CCCCC2)(C(=O)N2CCCCC2)N=C1- InChIKey
OCVKQRQVXSMCCJ-HWFQYKCLSA-N- Molecular formula
- C42H56N8O6
- Average molar mass
- 768.9 g/mol
- Monoisotopic mass
- 768.43228154
Overview
oxytocin antagonist; structure given in first source
Names & identifiers
- Preferred name
- L 366948
- IUPAC
- (2S)-2-amino-N-[(2S,3S)-1-[(2S)-1-[(2R)-2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide
- English name
- L 366948
- Molecular formula
- C42H54N8O6
- Molecular weight
- 766.939
Names & synonyms
L-366,948(2S)-2-amino-N-[(2S,3S)-1-[(2S)-1-[(2R)-2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide(2S)-2-amino-N-((2S,3S)-1-((2S)-1-((2R)-2-amino-3-(2,2-bis(piperidine-1-carbonyl)imidazol-4-yl)propanoyl)-2-formylpyrrolidin-2-yl)-3-methyl-1-oxopentan-2-yl)-3-naphthalen-2-ylpropanamideRefChem:924315127819-97-0Cyclo(3-(2-naphthalenyl)-D-alanyl-L-isoleucyl-D-2-piperidinecarbonyl-L-2-piperidinecarbonyl-D-histidyl-L-prolyl)Cyclo(pro-nal-ile-pip-pip-his)L 366,948L 366948L-366948GTPL2245DTXSID10925992
Show more names
Cyclo[L-Pro-3-(2-naphtyl)-D-Ala-L-Ile-D-Pip-L-Pip-D-His-]Cyclo[L-Pro-3-(2-naphthalenyl)-D-Ala-L-Ile-D-Hpr-L-Hpr-D-His-]Cyclo[L-Ile-D-Hpr-L-Hpr-D-His-L-Pro-3-(2-naphthalenyl)-D-Ala-]cyclo-
(2S)-2-Amino-N-{(2S,3S)-1-[(2S)-1-{3-[2,2-di(piperidine-1-carbonyl)-2H-imidazol-4-yl]-D-alanyl}-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl}-3-(naphthalen-2-yl)propanimidic acid2-Amino-N-[1-(1-{3-[2,2-di(piperidine-1-carbonyl)-2H-imidazol-4-yl]alanyl}-2-formylpyrrolidin-2-yl)-3-methyl-1-oxopentan-2-yl]-3-(naphthalen-2-yl)propanimidic acid
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,510
Chemistry & industry
Applications
DescriptionL 366948 is an oxytocin receptor antagonist.
UsesL-366948 is an active compound.
Suppliers8 total
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [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]
江西辐氨生物技术有限公司15002819872 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
江西研肽生物医药科技有限公司13758194781; 13758194781 · [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
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