Basic information
- CAS
97474-07-2- Standard SMILES
[N-]=[N+]=Nc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCCC3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)cc1- InChIKey
BQLRGCYAAWQNHV-LGYYRGKSSA-N- Molecular formula
- C46H64N18O12S2
- Average molar mass
- 1,125.2 g/mol
- Monoisotopic mass
- 1,124.4392519
Overview
RN given for all (L)-cpd
Names & identifiers
- Preferred name
- Argipressin, (4-azido)phe(3)-
- IUPAC
- 1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- English name
- argipressin, (4-azido)Phe(3)-
- Molecular formula
- C46H64N18O12S2
- Molecular weight
- 1125.25
Names & synonyms
Argipressin, (4-azido)phe(3)-3-Phe(p-N3)-avp3-(4-Azido)phe-argipressinArginine vasopressin, (4-azido)phe(3)-Argipressin, (4-azido)phenylalanine(3)-97474-07-2RefChem:1139591-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Database identifiers
- CAS
97474-07-2- PubChem CID
- 196337
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 529 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 20
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,240
Physicochemical properties
- pka
- 9.901 · 9.901±0.15(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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