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100900-22-9 | Propanamide, 3,3'-dithiobis[2-amino-N-2-naphthalenyl-, dihydrochloride (9CI)
CAS No: 100900-22-9 Catalog No: AG00035H MDL No:
Product Description
Catalog Number:
AG00035H
Chemical Name:
Propanamide, 3,3'-dithiobis[2-amino-N-2-naphthalenyl-, dihydrochloride (9CI)
CAS Number:
100900-22-9
Molecular Formula:
C26H28Cl2N4O2S2
Molecular Weight:
563.5621
IUPAC Name:
(2R)-2-amino-3-[[(2R)-2-amino-3-(naphthalen-2-ylamino)-3-oxopropyl]disulfanyl]-N-naphthalen-2-ylpropanamide;dihydrochloride
InChI:
InChI=1S/C26H26N4O2S2.2ClH/c27-23(25(31)29-21-11-9-17-5-1-3-7-19(17)13-21)15-33-34-16-24(28)26(32)30-22-12-10-18-6-2-4-8-20(18)14-22;;/h1-14,23-24H,15-16,27-28H2,(H,29,31)(H,30,32);2*1H/t23-,24-;;/m0../s1
InChI Key:
SVTSKSGXHPXOGU-WLKYSPGFSA-N
SMILES:
O=C(C(CSSCC(C(=O)Nc1ccc2c(c1)cccc2)N)N)Nc1ccc2c(c1)cccc2.Cl.Cl
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
562.103g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
563.556g/mol
Monoisotopic Mass:
562.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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