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14945-17-6 | Vasopressin, 8-L-lysine-9-D-alaninamide- (8CI,9CI)
CAS No: 14945-17-6 Catalog No: AG001LPR MDL No:
Product Description
Catalog Number:
AG001LPR
Chemical Name:
Vasopressin, 8-L-lysine-9-D-alaninamide- (8CI,9CI)
CAS Number:
14945-17-6
IUPAC Name:
1-[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]-N-[6-amino-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C47H67N13O12S2/c1-25(39(52)64)53-41(66)30(10-5-6-18-48)55-46(71)36-11-7-19-60(36)47(72)35-24-74-73-23-29(49)40(65)56-32(21-27-12-14-28(61)15-13-27)44(69)57-33(20-26-8-3-2-4-9-26)43(68)54-31(16-17-37(50)62)42(67)58-34(22-38(51)63)45(70)59-35/h2-4,8-9,12-15,25,29-36,61H,5-7,10-11,16-24,48-49H2,1H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,68)(H,55,71)(H,56,65)(H,57,69)(H,58,67)(H,59,70)
InChI Key:
KEXFJVLUVBJIMD-UHFFFAOYSA-N
Properties
Complexity:
1990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1069.447g/mol
Formal Charge:
0
Heavy Atom Count:
74
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
1070.252g/mol
Monoisotopic Mass:
1069.447g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
476A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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