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63441-67-8 | (3,5-Diiodo-Tyr2,Arg8)-Vasopressin H-Cys-3,5-diiodo-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2 (Disulfide bond)
CAS No: 63441-67-8 Catalog No: AG01EA32 MDL No:
Product Description
Catalog Number:
AG01EA32
Chemical Name:
(3,5-Diiodo-Tyr2,Arg8)-Vasopressin H-Cys-3,5-diiodo-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2 (Disulfide bond)
CAS Number:
63441-67-8
IUPAC Name:
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxy-3,5-diiodophenyl)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
InChI:
InChI=1S/C46H63I2N15O12S2/c47-24-14-23(15-25(48)37(24)67)17-30-42(72)60-29(16-22-6-2-1-3-7-22)41(71)57-28(10-11-34(50)64)40(70)61-31(18-35(51)65)43(73)62-32(21-77-76-20-26(49)38(68)59-30)45(75)63-13-5-9-33(63)44(74)58-27(8-4-12-55-46(53)54)39(69)56-19-36(52)66/h1-3,6-7,14-15,26-33,67H,4-5,8-13,16-21,49H2,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,69)(H,57,71)(H,58,74)(H,59,68)(H,60,72)(H,61,70)(H,62,73)(H4,53,54,55)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChI Key:
GAFOCAWXSQRCMZ-DKTXOJPGSA-N
Properties
Complexity:
2150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
1335.231g/mol
Formal Charge:
0
Heavy Atom Count:
77
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1336.032g/mol
Monoisotopic Mass:
1335.231g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
515A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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