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| CAS No.: | 113-80-4 |
|---|---|
| Name: | CYS-TYR-ILE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 |
| Molecular Structure: | |
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|
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| Formula: | C43H67N15O12S2 |
| Molecular Weight: | 1050.23 |
| Synonyms: | 1-9-Hydrin2 (peptide), 9-glycinamide- (9CI);3-Isoleucine-8-arginine vasopressin;8-Arginine oxytocin;8-Arginine vasotocin;8-L-Arginine-vasotocin;8-L-Arginineoxytocin;Arginine-vasotocin;Natriuretic hormone (ox pineal);Vasotocin (Neoceratodusforsteri);Vasotocin, 8-L-arginine-;[Arg8]oxytocin; |
| Density: | 1.593 g/cm3 |
| PSA: | 512.03000 |
| LogP: | 0.96440 |
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Chemistry
Molecular Formula: C43H67N15O12S2
Molar mass: 1050.22 g/mol
EINECS: 204-718-7
Density: 1.59 g/cm3
Index of Refraction: 1.712
Storage temp: -15°C
Product categories of Argiprestocin (113-80-4): Peptide
Structure of Argiprestocin (113-80-4):
XLogP3-AA: -5.1
H-Bond Donor: 14
H-Bond Acceptor: 16
IUPAC Name: 1-[(1R,4S,7S,13S,
16R)-16-Amino-4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-10-[(2S)-
butan-2-yl]-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-18,
19-dithia-2,5,8,11,
14-pentazacycloicosane-1-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]
-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Isomeric SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=ON3CCCC3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChI: InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30?,34?/m0/s1
InChIKey: OXDZADMCOWPSOC-ICBIOJHSSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
Specification
Argiprestocin (113-80-4) also can be called Arginine vasotocin ; Argiprestocine ; 8-L-Arginineoxytocin ; 8-Arginine vasotocin ; 8-Arg-vasotocin ; L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginylglycinamide Cyclic (1®6)-Disulfide .