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Lysipressin Acetate

CAT: 1568-C06855-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C06855-1gSize:1 g
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CAS Number
83968-49-4
Synonyms
C[Cys-Tyr-Phe-Gln-Asn-Cys]-Pro-Lys-Gly-NH2
Molecular Formula
C46H65N13O12S2.C2H4O2
Additionnal Information
Lysipressin acetate (Lysine vasopressin acetate; [Lys8]-Vasopressin acetate) is an antidiuretic hormone that has been found in pigs and some marsupial families. Lysipressin acetate activates adenylate-cyclase and induces contraction of the rabbit urinary bladder smooth muscle.
Storage Conditions
3 years-20°C powder 1 years-80°C in solvent

Chemical Information

Lysipressin acetate
CAS Number83968-49-4
PubChem CID91844584
IUPAC Nameacetic acid;(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular FormulaC48H69N13O14S2
Molecular Weight1116.3
Topological Polar Surface Area513
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count19
Heavy Atom Count77
Formal Charge0
Complexity1990
SMILES
CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N
InChI
InChI=1S/C46H65N13O12S2.C2H4O2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34;1-2(3)4/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69);1H3,(H,3,4)/t28-,29-,30-,31-,32-,33-,34-,35-;/m0./s1
InChIKey
NKWAIKZITYLOMT-DHSVNZEYSA-N
Chemical Structure
2D Structure
2D structure of Lysipressin acetate
CAS: 83968-49-4
CID: 91844584
Formula: C48H69N13O14S2
MW: 1116.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1116.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count19
Exact Mass1115.45283627
Monoisotopic Mass1115.45283627
Topological Polar Surface Area513 Ų
Heavy Atom Count77
Formal Charge0
Complexity1990
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes